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Thijopsenic acid

View entire compound with spectra: 1 MS (GC)

Thijopsenic acid <cis->
SpectraBase Compound ID KwNZ0uIqowO
InChI InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14+,15-/m1/s1
InChIKey QATLFHOGPLMQHU-BYCMXARLSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Luc5m05pcg
Name Thijopsenic acid
CAS Registry Number 546-53-2
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 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-13(2)6-4-7-14(3)8-5-10(12(16)17)11-9-15(11,13)14/h5,11H,4,6-9H2,1-3H3,(H,16,17)/t11-,14+,15-/m1/s1
InChIKey QATLFHOGPLMQHU-BYCMXARLSA-N
Molecular Weight 234.339 g/mol
Number of Peaks 50
RI1 1869
SMILES OC(C=1[C@@]2([C@@]3(C(CCC[C@]3(CC1)C)(C)C)C2)[H])=O
SPLASH splash10-0596-9800000000-54bbc4e4b26bb811f67f
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 Cyclopropa[d]naphthalene-2-carboxylic acid, 1,1a,4,4a,5,6,7,8-octahydro-4a,8,8-trimethyl-,
Wiley ID LM_FFNSC3_2426