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(4R*,5S*)-4-Methyl-5-isopropyl-.delta.-valerolactone
SpectraBase Compound ID 5aiIRPlR5GX
InChI InChI=1S/C9H16O2/c1-6(2)9-7(3)4-5-8(10)11-9/h6-7,9H,4-5H2,1-3H3/t7-,9+/m1/s1
InChIKey RORYOGLYWSZODQ-APPZFPTMSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D2DKtgDWYml
Name (4R*,5S*)-4-Methyl-5-isopropyl-.delta.-valerolactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-6(2)9-7(3)4-5-8(10)11-9/h6-7,9H,4-5H2,1-3H3/t7-,9+/m1/s1
InChIKey RORYOGLYWSZODQ-APPZFPTMSA-N
Molecular Weight 156.225 g/mol
SMILES [C@@]1(OC(CC[C@]1(C)[H])=O)(C(C)C)[H]
SPLASH splash10-03yr-9500000000-d7287c7117529c700d58
Source of Spectrum F5-2-2399-15
Synonyms (5R,6S)-6-isopropyl-5-methyltetrahydro-2H-pyran-2-one (5R,6S)-5-methyl-6-propan-2-yl-2-oxanone (5R,6S)-5-methyl-6-propan-2-yloxan-2-one (5R,6S)-5-methyl-6-propan-2-yl-oxan-2-one
Wiley ID 1731946