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3-Dodecen-5-one, 7-hydroxy-2-methyl-, (E)-(.+-.)-
SpectraBase Compound ID 5UphQrqedvw
InChI InChI=1S/C13H24O2/c1-4-5-6-7-12(14)10-13(15)9-8-11(2)3/h8-9,11-12,14H,4-7,10H2,1-3H3/b9-8+
InChIKey TVXUVXZFXYEFMI-CMDGGOBGSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlUZzklF3T4
Name 3-Dodecen-5-one, 7-hydroxy-2-methyl-, (E)-(.+-.)-
CAS Registry Number 115495-54-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-4-5-6-7-12(14)10-13(15)9-8-11(2)3/h8-9,11-12,14H,4-7,10H2,1-3H3/b9-8+
InChIKey TVXUVXZFXYEFMI-CMDGGOBGSA-N
Molecular Weight 212.333 g/mol
SMILES OC(CC(\C=C\C(C)C)=O)CCCCC
SPLASH splash10-0007-9100000000-21029b1c6e182cf6ef49
Source of Spectrum AJ-60-4096-8
Synonyms (3E)-7-hydroxy-2-methyl-3-dodecen-5-one 2-Methyl-7-hydroxy-3-dodecen-5-one
Wiley ID 1211840