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3-Butynyl 4-(acetamido)benzenesulfonate

View entire compound with spectra: 1 MS (GC)

3-Butynyl 4-(acetamido)benzenesulfonate
SpectraBase Compound ID 27cy515m56B
InChI InChI=1S/C12H13NO4S/c1-3-4-9-17-18(15,16)12-7-5-11(6-8-12)13-10(2)14/h1,5-8H,4,9H2,2H3,(H,13,14)
InChIKey CJPNJUAJWADMJE-UHFFFAOYSA-N
Mol Weight 267.3 g/mol
Molecular Formula C12H13NO4S
Exact Mass 267.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoxpxxnUiBC
Name 3-Butynyl 4-(acetamido)benzenesulfonate
Alternate Name(s) 3-Butynyl 4-(acetylamino)benzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4S
InChI InChI=1S/C12H13NO4S/c1-3-4-9-17-18(15,16)12-7-5-11(6-8-12)13-10(2)14/h1,5-8H,4,9H2,2H3,(H,13,14)
InChIKey CJPNJUAJWADMJE-UHFFFAOYSA-N
Molecular Weight 267.299 g/mol
SMILES N(c1ccc(cc1)S(=O)(=O)OCCC#C)C(C)=O
SPLASH splash10-0006-9830000000-d8636e7a9594a10e68e4
Source of Spectrum H1-46-528-0
Wiley ID 816017