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Rhuboflor isomer II
SpectraBase Compound ID 7jWBccZZyw5
InChI InChI=1S/C12H18O/c1-2-8-6-9-7-11(8)10-4-3-5-13-12(9)10/h2,9-12H,3-7H2,1H3/b8-2+/t9-,10-,11-,12?/m0/s1
InChIKey UBALJTRHSDXCPY-NFKANBEOSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mATY9nxAJC
Name Rhuboflor isomer I
Source of Sample Standard L'Oreal
CAS Registry Number 93939-86-7
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 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-2-8-6-9-7-11(8)10-4-3-5-13-12(9)10/h2,9-12H,3-7H2,1H3/b8-2+/t9-,10-,11-,12?/m0/s1
InChIKey UBALJTRHSDXCPY-NFKANBEOSA-N
Molecular Weight 178.275 g/mol
Number of Peaks 50
RI1 1372
RI2 1050
RI3 1081
RI4 1037
SMILES C\C=C/1C[C@@]2(C3[C@@](CCCO3)([C@]1(C2)[H])[H])[H]
SPLASH splash10-0006-9200000000-a2278e6e4cb0922cd29b
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 5,8-Methano-2H-1-benzopyran, 6-ethylideneoctahydro-
Wiley ID LM_FFNSC3_3032