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(4R*,6R*)-4-Hydroxy-4-methyl-6-n-propyl-1-oxacyclohexan-2-one
SpectraBase Compound ID L7Qh8nr5Z2D
InChI InChI=1S/C9H16O3/c1-3-4-7-5-9(2,11)6-8(10)12-7/h7,11H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKey FPKBZLYQKYOYLD-VXNVDRBHSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ja6CgGAvOVB
Name (4R*,6R*)-4-Hydroxy-4-methyl-6-n-propyl-1-oxacyclohexan-2-one
CAS Registry Number 135973-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-3-4-7-5-9(2,11)6-8(10)12-7/h7,11H,3-6H2,1-2H3/t7-,9-/m1/s1
InChIKey FPKBZLYQKYOYLD-VXNVDRBHSA-N
Molecular Weight 172.224 g/mol
SMILES O[C@]1(CC(O[C@@](C1)(CCC)[H])=O)C
SPLASH splash10-000i-9400000000-6cae7ca53eb848037106
Source of Spectrum C-113-8042-2
Synonyms (4R,6R)-4-hydroxy-4-methyl-6-propyltetrahydro-2H-pyran-2-one
Wiley ID 1168794