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NVJ

Summary
Name:ethyl benzylcarbamate
Formula:C10 H13 N O2
Formal charge:0
Formula weight:179.216 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl benzylcarbamate
OpenEye OEToolkits2.0.6ethyl ~{N}-(phenylmethyl)carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(Cc1ccccc1)C(=O)OCC
InChIInChI1.03InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)
InChIKeyInChI1.03XSXLCQLOFRENHC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)NCc1ccccc1
SMILESCACTVS3.385CCOC(=O)NCc1ccccc1
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)NCc1ccccc1
SMILESOpenEye OEToolkits2.0.6CCOC(=O)NCc1ccccc1

222624

数据于2024-07-17公开中

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