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2-Nitrobenzyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

2-Nitrobenzyl 4-methylbenzenesulfonate
SpectraBase Compound ID Hp3ACw3ezFG
InChI InChI=1S/C14H13NO5S/c1-11-6-8-13(9-7-11)21(18,19)20-10-12-4-2-3-5-14(12)15(16)17/h2-9H,10H2,1H3
InChIKey MCVVDMSWCQUKEV-UHFFFAOYSA-N
Mol Weight 307.32 g/mol
Molecular Formula C14H13NO5S
Exact Mass 307.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcWI01o3PZR
Name 2-Nitrobenzyl 4-methylbenzenesulfonate
CAS Registry Number 20444-09-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO5S
InChI InChI=1S/C14H13NO5S/c1-11-6-8-13(9-7-11)21(18,19)20-10-12-4-2-3-5-14(12)15(16)17/h2-9H,10H2,1H3
InChIKey MCVVDMSWCQUKEV-UHFFFAOYSA-N
Molecular Weight 307.320 g/mol
SMILES c1ccc(N(=O)=O)c(COS(c2ccc(cc2)C)(=O)=O)c1
SPLASH splash10-002u-8900000000-7b51c79d7500f1897444
Synonyms (2-nitrophenyl)methyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (2-nitrobenzyl) ester 4-Methylbenzenesulfonic acid (2-nitrophenyl)methyl ester Benzenemethanol, 2-nitro-, 4-methylbenzenesulfonate Benzenemethanol, 2-nitro-, 4-methylbenzenesulfonate (ester)
Wiley ID 1437955