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3,5,5-Trimethylcyclohexene
SpectraBase Compound ID CQD44ot2OZ0
InChI InChI=1S/C9H16/c1-8-5-4-6-9(2,3)7-8/h4-5,8H,6-7H2,1-3H3
InChIKey CBERVMGFVLWZSU-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 6spE2q2uBSf
Name Cyclohexene <3,5,5-trimethyl->
CAS Registry Number 933-12-0
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/h4-5,8H,6-7H2,1-3H3
InChIKey CBERVMGFVLWZSU-UHFFFAOYSA-N
Molecular Weight 124.227 g/mol
Number of Peaks 41
RI1 837
RI2 495
RI3 361
RI4 332
RI5 828
SMILES CC1(C)CC(C)C=CC1
SPLASH splash10-014i-9200000000-3dcdcabca132063f4aa1
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, 3,5,5-trimethyl-
Wiley ID LM_FFNSC3_2585