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(7S,10R)-CALAMENENE
SpectraBase Compound ID 3pVZ8ozDZLi
InChI InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m1/s1
InChIKey PGTJIOWQJWHTJJ-OLZOCXBDSA-N
Mol Weight 202.34 g/mol
Molecular Formula C15H22
Exact Mass 202.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Z30SlqmEzg
Name Calamenene
CAS Registry Number 73209-42-4
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 202.172150708 u
Formula C15H22
InChI InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13+/m1/s1
InChIKey PGTJIOWQJWHTJJ-OLZOCXBDSA-N
Molecular Weight 202.341 g/mol
Number of Peaks 50
RI1 1527
RI2 1203
SMILES c12c(ccc(c2)C)[C@@](CC[C@]1(C(C)C)[H])(C)[H]
SPLASH splash10-0a4i-1900000000-efe0882c6155b8fb9f5e
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 Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R,4S)-
Wiley ID LM_FFNSC3_1065