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3,3,5-Trimethyl-cyclohexene
SpectraBase Compound ID 5q4LbFcw0KH
InChI InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4,6,8H,5,7H2,1-3H3
InChIKey GQVLBFQEABXQDC-UHFFFAOYSA-N
Mol Weight 124.23 g/mol
Molecular Formula C9H16
Exact Mass 124.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 92euLeRsSl6
Name Cyclohexene <3,3,5-trimethyl->
CAS Registry Number 503-45-7
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 124.125200515 u
Formula C9H16
InChI InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4,6,8H,5,7H2,1-3H3
InChIKey GQVLBFQEABXQDC-UHFFFAOYSA-N
Molecular Weight 124.227 g/mol
Number of Peaks 41
RI1 824
RI2 486
RI3 357
RI4 329
RI5 822
SMILES CC1(C)CC(C)CC=C1
SPLASH splash10-0api-9300000000-603e7dc92ceafe6ebdc9
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Cyclohexene, 3,3,5-trimethyl-
Wiley ID LM_FFNSC3_2341