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3-Oxabicyclo[3.1.0]hexan-2-one, 4-acetyl-6,6-dimethyl-, [1R-(1.alpha.,4.alpha.,5.alpha.)]-
SpectraBase Compound ID i3TdIf3qOu
InChI InChI=1S/C9H12O3/c1-4(10)7-5-6(8(11)12-7)9(5,2)3/h5-7H,1-3H3/t5-,6-,7+/m0/s1
InChIKey XXUDODLBBYOASQ-LYFYHCNISA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMVCu30Bh61
Name 3-Oxabicyclo[3.1.0]hexan-2-one, 4-acetyl-6,6-dimethyl-, [1R-(1.alpha.,4.alpha.,5.alpha.)]-
Alternate Name(s) (+)-4.alpha.-acetyl-6,6-dimethyl-3-oxabicyclo-(3.1.0)-hex-2-one (+)-4a-Acetyl-6,6-dimethyl-3-oxabicyclo(3,1,0)hexan-2-one (1R,4S,5R)-4-acetyl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CAS Registry Number 105452-71-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-4(10)7-5-6(8(11)12-7)9(5,2)3/h5-7H,1-3H3/t5-,6-,7+/m0/s1
InChIKey XXUDODLBBYOASQ-LYFYHCNISA-N
Molecular Weight 168.192 g/mol
SMILES [C@]12([C@]([C@@](C(=O)C)(OC2=O)[H])([H])C1(C)C)[H]
SPLASH splash10-0006-9000000000-7577f54bd1ae80e1f17f
Source of Spectrum F-42-5725-13
Wiley ID 1164354