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Benzene, 3-heptynyl-

View entire compound with spectra: 1 MS (GC)

Benzene, 3-heptynyl-
SpectraBase Compound ID CSlely1UNBf
InChI InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-3,7,10H2,1H3
InChIKey YEZVJYUTWUGSLO-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 2uKGwxjqzsO
Name Benzene, 3-heptynyl-
Alternate Name(s) 3-Heptynylbenzene Hept-3-ynylbenzene
CAS Registry Number 56293-04-0
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,2-3,7,10H2,1H3
InChIKey YEZVJYUTWUGSLO-UHFFFAOYSA-N
Molecular Weight 172.271 g/mol
SMILES CCCC#CCCc1ccccc1
SPLASH splash10-0006-9300000000-887620ce2ef9b5b20f3c
Source of Spectrum SD-1981-0-0
Wiley ID 1169468