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Catalponol
SpectraBase Compound ID KunLQYS3ZIW
InChI InChI=1S/C15H18O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11,14,16H,8-9H2,1-2H3/t11-,14+/m1/s1
InChIKey BTQXIESSQVRLCV-RISCZKNCSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iBuSmipJQW
Name Catalponol
CAS Registry Number 34168-56-4
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 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-10(2)7-8-11-9-14(16)12-5-3-4-6-13(12)15(11)17/h3-7,11,14,16H,8-9H2,1-2H3/t11-,14+/m1/s1
InChIKey BTQXIESSQVRLCV-RISCZKNCSA-N
Molecular Weight 230.307 g/mol
Number of Peaks 50
RI1 2024
SMILES O[C@@]1(c2c(C(=O)[C@@](C1)(CC=C(C)C)[H])cccc2)[H]
SPLASH splash10-03dm-3910000000-75b686d07f98e4665595
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 1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-2-(3-methyl-2-buten-1-yl)-
Wiley ID LM_FFNSC3_2816