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Osthole
SpectraBase Compound ID FUyJ0V15gKA
InChI InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKey MBRLOUHOWLUMFF-UHFFFAOYSA-N
Mol Weight 244.29 g/mol
Molecular Formula C15H16O3
Exact Mass 244.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8jdFUfQaw5
Name Ostole
CAS Registry Number 484-12-8
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 244.109944372 u
Formula C15H16O3
InChI InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
InChIKey MBRLOUHOWLUMFF-UHFFFAOYSA-N
Molecular Weight 244.290 g/mol
Number of Peaks 50
RI1 2130
RI2 1803
SMILES c1(ccc2c(c1CC=C(C)C)OC(C=C2)=O)OC
SPLASH splash10-002u-3970000000-8ba020d93b7249e5effd
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 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-
Wiley ID LM_FFNSC3_1717