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(-)-BETA-MACROCARPENE;(1'S)-4',5,5-TRIMETHYL-1,1'-BI-(CYCLOHEXANE)-1,3'-DIENE
SpectraBase Compound ID F8GZDzD4C4F
InChI InChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h5-6,13H,4,7-11H2,1-3H3/t13-/m1/s1
InChIKey BKRLNEMLMVJATK-CYBMUJFWSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CwFvtHxLA9
Name Macrocarpene
CAS Registry Number 847374-80-5
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 204.187800773 u
Formula C15H24
InChI InChI=1S/C15H24/c1-12-6-8-13(9-7-12)14-5-4-10-15(2,3)11-14/h5-6,13H,4,7-11H2,1-3H3/t13-/m1/s1
InChIKey BKRLNEMLMVJATK-CYBMUJFWSA-N
Molecular Weight 204.357 g/mol
Number of Peaks 50
RI1 1503
SMILES C1C(CC(=CC1)[C@]1(CCC(=CC1)C)[H])(C)C
SPLASH splash10-002f-9500000000-f4c21e49f105230f7b63
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, 5,5-dimethyl-1-[(1S)-4-methyl-3-cyclohexen-1-yl]-
Wiley ID LM_FFNSC3_2538