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(1R,4S,5S)-4-(hydroxymethyl)-5-methyl-3-oxabicyclo[3.2.0]heptan-2-one
SpectraBase Compound ID CalVz7ntFpd
InChI InChI=1S/C8H12O3/c1-8-3-2-5(8)7(10)11-6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6+,8-/m0/s1
InChIKey JADJQGKUVIHEPE-BBVRLYRLSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rJbeaJMkS
Name (1R,4S,5S)-4-(hydroxymethyl)-5-methyl-3-oxabicyclo[3.2.0]heptan-2-one
Alternate Name(s) (1R,4S,5S)-5-methyl-4-methylol-3-oxabicyclo[3.2.0]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-8-3-2-5(8)7(10)11-6(8)4-9/h5-6,9H,2-4H2,1H3/t5-,6+,8-/m0/s1
InChIKey JADJQGKUVIHEPE-BBVRLYRLSA-N
Molecular Weight 156.181 g/mol
SMILES OC[C@]1(OC([C@]2([C@@]1(CC2)C)[H])=O)[H]
SPLASH splash10-00pm-9200000000-23ad2769a1f4e63d82d1
Source of Spectrum F-52-1291-29
Wiley ID 794875