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3,4-Heptadien-2-one, 3-cyclopentyl-6-hydroxy-6-methyl-5-(1-methylethyl)-
SpectraBase Compound ID ISfLeMJATAe
InChI InChI=1S/C16H26O2/c1-11(2)15(16(4,5)18)10-14(12(3)17)13-8-6-7-9-13/h11,13,18H,6-9H2,1-5H3
InChIKey BCVPPBLPWXOWGK-UHFFFAOYSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vGjJZYOy5b
Name 3,4-Heptadien-2-one, 3-cyclopentyl-6-hydroxy-6-methyl-5-(1-methylethyl)-
CAS Registry Number 63922-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-11(2)15(16(4,5)18)10-14(12(3)17)13-8-6-7-9-13/h11,13,18H,6-9H2,1-5H3
InChIKey BCVPPBLPWXOWGK-UHFFFAOYSA-N
Molecular Weight 250.382 g/mol
SMILES OC(C(C(C)C)=C=C(C1CCCC1)C(C)=O)(C)C
SPLASH splash10-0006-9710000000-f72460464446ac530974
Synonyms 3-Cyclopentyl-6-hydroxy-5-isopropyl-6-methyl-3,4-heptadien-2-one 3-Cyclopentyl-6-hydroxy-5-isopropyl-6-methyl-hepta-3,4-dien-2-one 3-cyclopentyl-6-hydroxy-6-methyl-5-propan-2-yl-2-hepta-3,4-dienone 3-cyclopentyl-6-hydroxy-6-methyl-5-propan-2-ylhepta-3,4-dien-2-one 3-cyclopentyl-6-methyl-6-oxidanyl-5-propan-2-yl-hepta-3,4-dien-2-one
Wiley ID 1477596