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Hept-6-yn-1-yl 4-bromobenzenesulfonate

View entire compound with spectra: 1 MS (GC)

Hept-6-yn-1-yl 4-bromobenzenesulfonate
SpectraBase Compound ID 1z3Zrtevc9O
InChI InChI=1S/C13H15BrO3S/c1-2-3-4-5-6-11-17-18(15,16)13-9-7-12(14)8-10-13/h1,7-10H,3-6,11H2
InChIKey MSBVYWVEIHGPDJ-UHFFFAOYSA-N
Mol Weight 331.22 g/mol
Molecular Formula C13H15BrO3S
Exact Mass 329.992529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0K3WRUN4v
Name Hept-6-yn-1-yl 4-bromobenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15BrO3S
InChI InChI=1S/C13H15BrO3S/c1-2-3-4-5-6-11-17-18(15,16)13-9-7-12(14)8-10-13/h1,7-10H,3-6,11H2
InChIKey MSBVYWVEIHGPDJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201310280
Molecular Weight 331.224 g/mol
SMILES C(CCCCCOS(c1ccc(cc1)Br)(=O)=O)#C
SPLASH splash10-004i-9210000000-a255c2054ac115758982
Source of Spectrum ACI-53-SMS44-1u
Wiley ID 1782108