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1-Benzyl-2-(1-hydroxyethyl)aziridine-2-carbothioic acid, S-phenyl ester
SpectraBase Compound ID Bo2E2CVLNzL
InChI InChI=1S/C18H19NO2S/c1-14(20)18(17(21)22-16-10-6-3-7-11-16)13-19(18)12-15-8-4-2-5-9-15/h2-11,14,20H,12-13H2,1H3
InChIKey ONTNLYYVIOTXOJ-UHFFFAOYSA-N
Mol Weight 313.42 g/mol
Molecular Formula C18H19NO2S
Exact Mass 313.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRKCwi4XNn4
Name 1-BENZYL-2-(1-HYDROXY-ETHYL)-AZIRIDINE-2-CARBOTHIOIC ACID, S-PHENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H19NO2S
InChI InChI=1S/C18H19NO2S/c1-14(20)18(17(21)22-16-10-6-3-7-11-16)13-19(18)12-15-8-4-2-5-9-15/h2-11,14,20H,12-13H2,1H3
InChIKey ONTNLYYVIOTXOJ-UHFFFAOYSA-N
Molecular Weight 313.1132
SMILES OC(C)C1(C(Sc2ccccc2)=O)CN1Cc1ccccc1
SPLASH splash10-0006-9400000000-b0a07ecb39a195114ad6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany