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Benzene, 4-heptynyl-

View entire compound with spectra: 1 MS (GC)

Benzene, 4-heptynyl-
SpectraBase Compound ID 2iqA9azOubO
InChI InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2,5,7,10H2,1H3
InChIKey ZESYGCAGCCKBJY-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 H2GCZSy2Y84
Name Benzene, 4-heptynyl-
Alternate Name(s) 4-Heptynylbenzene Hept-4-ynylbenzene
CAS Registry Number 56293-03-9
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,2,5,7,10H2,1H3
InChIKey ZESYGCAGCCKBJY-UHFFFAOYSA-N
Molecular Weight 172.271 g/mol
SMILES CCC#CCCCc1ccccc1
SPLASH splash10-0f6x-4900000000-b6062d1903dccf16246c
Source of Spectrum SD-1981-0-0
Wiley ID 1169469