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Parahigginine
SpectraBase Compound ID KCvkY9XPjlj
InChI InChI=1S/C15H22O3/c1-10(2)6-13(17)7-11(3)14-5-4-12(9-16)8-15(14)18/h4-5,8-11,13,17-18H,6-7H2,1-3H3
InChIKey KZIVKRFRXSYVKC-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3YDspJB2CS
Name Parahigginine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-10(2)6-13(17)7-11(3)14-5-4-12(9-16)8-15(14)18/h4-5,8-11,13,17-18H,6-7H2,1-3H3
InChIKey KZIVKRFRXSYVKC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.199900031
Molecular Weight 250.338 g/mol
SMILES Oc1c(C(CC(CC(C)C)O)C)ccc(c1)C=O
SPLASH splash10-0005-5910000000-094779ce037b2a309c7d
Source of Spectrum QA-46-203-1
Synonyms 3-Hydroxy-4-(4-hydroxy-6-methylheptan-2-yl)benzaldehyde
Wiley ID 1795087