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Hept-6-yn-1-yl 4-methylbenzenesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Hept-6-yn-1-yl 4-methylbenzenesulfonate
SpectraBase Compound ID FsAqSVrbepU
InChI InChI=1S/C14H18O3S/c1-3-4-5-6-7-12-17-18(15,16)14-10-8-13(2)9-11-14/h1,8-11H,4-7,12H2,2H3
InChIKey XYHZCWQGARGTDB-UHFFFAOYSA-N
Mol Weight 266.35 g/mol
Molecular Formula C14H18O3S
Exact Mass 266.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47F5CFOJkW
Name Hept-6-yn-1-yl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3S
InChI InChI=1S/C14H18O3S/c1-3-4-5-6-7-12-17-18(15,16)14-10-8-13(2)9-11-14/h1,8-11H,4-7,12H2,2H3
InChIKey XYHZCWQGARGTDB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201310280
Molecular Weight 266.355 g/mol
SMILES C(CCCCCOS(c1ccc(cc1)C)(=O)=O)#C
SPLASH splash10-002f-9300000000-9ee05a291a477c223676
Source of Spectrum ACI-53-SMS43-1t
Wiley ID 1782107