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Benzene, 2-heptynyl-

View entire compound with spectra: 1 MS (GC)

Benzene, 2-heptynyl-
SpectraBase Compound ID IBHKl1cyspP
InChI InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-4,10H2,1H3
InChIKey SELVTNFNZBNEMJ-UHFFFAOYSA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aOLssZkZut
Name Benzene, 2-heptynyl-
CAS Registry Number 54725-17-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-4,10H2,1H3
InChIKey SELVTNFNZBNEMJ-UHFFFAOYSA-N
Molecular Weight 172.271 g/mol
SMILES CCCCC#CCc1ccccc1
SPLASH splash10-0059-4900000000-750c626a7efd698457c8
Source of Spectrum SD-1981-0-0
Synonyms 2-Heptynylbenzene Hept-2-ynylbenzene
Wiley ID 1169467