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Cyclopenta[c]pyran-1(3H)-one, hexahydro-7-methyl-, (4a.alpha.,7.alpha.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID B2dBKFOTIFR
InChI InChI=1S/C9H14O2/c1-6-2-3-7-4-5-11-9(10)8(6)7/h6-8H,2-5H2,1H3/t6-,7+,8?/m1/s1
InChIKey HVQDVKHZEKJXAZ-KVARREAHSA-N
Mol Weight 154.21 g/mol
Molecular Formula C9H14O2
Exact Mass 154.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwI2Blo2VtR
Name Cyclopenta[c]pyran-1(3H)-one, hexahydro-7-methyl-, (4a.alpha.,7.alpha.,7a.alpha.)-(.+-.)-
Alternate Name(s) (+-)-Misugashiwalactone (.+-.)-Mitsugashiwalactone (4aS,7R)-7-methylhexahydrocyclopenta[c]pyran-1(3H)-one Cyclopenta[c]pyran-1(3H)-one, hexahydro-7-methyl-(4a.alpha.,7.alpha.)
CAS Registry Number 60269-03-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O2
InChI InChI=1S/C9H14O2/c1-6-2-3-7-4-5-11-9(10)8(6)7/h6-8H,2-5H2,1H3/t6-,7+,8?/m1/s1
InChIKey HVQDVKHZEKJXAZ-KVARREAHSA-N
Molecular Weight 154.209 g/mol
SMILES C1(C2[C@](CC[C@]2(C)[H])([H])CCO1)=O
SPLASH splash10-0159-9000000000-23a53ebe0a8eaaa875e3
Source of Spectrum F-46-3546-19
Wiley ID 1151315