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Benzene, heptyl-

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, 8 MS (GC), and 2 Near IR

Benzene, heptyl-
SpectraBase Compound ID H1UyMHjtgkN
InChI InChI=1S/C13H20/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 LBNXAWYDQUGHGX-UHFFFAOYSA-N
Mol Weight 176.3 g/mol
Molecular Formula C13H20
Exact Mass 176.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnB9zTc8tqa
Name Benzene, heptyl-
CAS Registry Number 1078-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20
InChI InChI=1S/C13H20/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 LBNXAWYDQUGHGX-UHFFFAOYSA-N
Molecular Weight 176.303 g/mol
SMILES CCCCCCCc1ccccc1
SPLASH splash10-0006-9200000000-ed87422b0f589d1c6ab6
Source of Spectrum F9-1992-2352-0
Synonyms 1-Phenylheptane Heptane, 1(or 7)-phenyl- Heptane, 1-phenyl- Heptyl-benzene n-Heptylbenzene EINECS 214-084-3 NSC 97413
Wiley ID 1566647