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2-(2-NITROPHENYL)-ETHYL-PARA-TOLUENESULFONATE
SpectraBase Compound ID GhVFm3PiKvI
InChI InChI=1S/C15H15NO5S/c1-12-6-8-14(9-7-12)22(19,20)21-11-10-13-4-2-3-5-15(13)16(17)18/h2-9H,10-11H2,1H3
InChIKey FBLDLJMRGSZGCD-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C15H15NO5S
Exact Mass 321.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZxLRsiO1DF
Name 2-(2-Nitrophenyl)ethyl 4-methylbenzenesulfonate
Alternate Name(s) Toluene-4-sulfonic acid, 2-(2-nitrophenyl)ethyl ester 4-Methylbenzenesulfonic acid 2-(2-nitrophenyl)ethyl ester
CAS Registry Number 69628-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO5S
InChI InChI=1S/C15H15NO5S/c1-12-6-8-14(9-7-12)22(19,20)21-11-10-13-4-2-3-5-15(13)16(17)18/h2-9H,10-11H2,1H3
InChIKey FBLDLJMRGSZGCD-UHFFFAOYSA-N
Molecular Weight 321.347 g/mol
SMILES c1(N(=O)=O)c(cccc1)CCOS(=O)(c1ccc(cc1)C)=O
SPLASH splash10-0006-9600000000-b6fde3518913d8b8a5b4
Wiley ID 1475522