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3-Heptyn-2-one, 5-cyclopentyl-6-hydroxy-6-methyl-5-(1-methylethyl)-
SpectraBase Compound ID IGDF1lN5HZt
InChI InChI=1S/C16H26O2/c1-12(2)16(15(4,5)18,11-10-13(3)17)14-8-6-7-9-14/h12,14,18H,6-9H2,1-5H3
InChIKey VYZZAVREJIAOLE-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 8zcKJpmackG
Name 3-Heptyn-2-one, 5-cyclopentyl-6-hydroxy-6-methyl-5-(1-methylethyl)-
CAS Registry Number 63922-46-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-12(2)16(15(4,5)18,11-10-13(3)17)14-8-6-7-9-14/h12,14,18H,6-9H2,1-5H3
InChIKey VYZZAVREJIAOLE-UHFFFAOYSA-N
Molecular Weight 250.382 g/mol
SMILES OC(C(C1CCCC1)(C#CC(=O)C)C(C)C)(C)C
SPLASH splash10-0007-5900000000-a44c89dc52da7606be68
Synonyms 5-Cyclopentyl-6-hydroxy-5-isopropyl-6-methyl-3-heptyn-2-one 5-Cyclopentyl-6-hydroxy-5-isopropyl-6-methyl-hept-3-yn-2-one 5-cyclopentyl-6-hydroxy-6-methyl-5-propan-2-yl-3-heptyn-2-one 5-cyclopentyl-6-hydroxy-6-methyl-5-propan-2-ylhept-3-yn-2-one 5-cyclopentyl-6-methyl-6-oxidanyl-5-propan-2-yl-hept-3-yn-2-one
Wiley ID 1483215