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Aristolochene
SpectraBase Compound ID G2p9mWUWNaF
InChI InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m1/s1
InChIKey YONHOSLUBQJXPR-NFAWXSAZSA-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 2lgbm5qNfUL
Name Aristolochene
CAS Registry Number 26620-71-3
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/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m1/s1
InChIKey YONHOSLUBQJXPR-NFAWXSAZSA-N
Molecular Weight 204.357 g/mol
Number of Peaks 50
RI1 1490
SMILES C12=CC[C@@](C(=C)C)(C[C@]2([C@@](CCC1)(C)[H])C)[H]
SPLASH splash10-052o-6900000000-9cefcfac1672c0118ea0
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, 1,2,3,4,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-
Wiley ID LM_FFNSC3_2774