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Ethyl 2-((4-nitrobenzyl)thio)acetate
SpectraBase Compound ID FAwWH471o2O
InChI InChI=1S/C11H13NO4S/c1-2-16-11(13)8-17-7-9-3-5-10(6-4-9)12(14)15/h3-6H,2,7-8H2,1H3
InChIKey ILYUJJPAJMZWQU-UHFFFAOYSA-N
Mol Weight 255.29 g/mol
Molecular Formula C11H13NO4S
Exact Mass 255.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8O2k3mDlJR
Name Ethyl 2-((4-nitrobenzyl)thio)acetate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO4S
InChI InChI=1S/C11H13NO4S/c1-2-16-11(13)8-17-7-9-3-5-10(6-4-9)12(14)15/h3-6H,2,7-8H2,1H3
InChIKey ILYUJJPAJMZWQU-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MSQP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.17.24
Molecular Weight 255.288 g/mol
Reported Formula C11H13NO4S
SMILES c1(ccc(cc1)CSCC(OCC)=O)[N+]([O-])=O
SPLASH splash10-000i-9120000000-651833b298abd2ce2124
Source of Spectrum BJO-17-SM4-3e
Wiley ID 1858428