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(+)-cis-Calamenene
SpectraBase Compound ID 5tn3kpheOLp
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-CHWSQXEVSA-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 BsjjTjR04B0
Name cis-Calamenene
CAS Registry Number 72937-55-4
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-CHWSQXEVSA-N
Molecular Weight 202.341 g/mol
Number of Peaks 50
RI1 1624
SMILES C[C@@]1(CC[C@@](c2cc(ccc12)C)(C(C)C)[H])[H]
SPLASH splash10-0a59-1900000000-c97d101b1bf142e61ee8
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,4R)-rel-
Wiley ID LM_FFNSC3_3120