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Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-, (4.alpha.,4a.alpha.,7.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 88joGybjnjk
InChI InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9-/m0/s1
InChIKey LYEFRAMOOLOUKA-JBDRJPRFSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jyq517kZVJX
Name Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-, (4.alpha.,4a.alpha.,7.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 128657-97-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9-/m0/s1
InChIKey LYEFRAMOOLOUKA-JBDRJPRFSA-N
Molecular Weight 168.236 g/mol
SMILES [C@@]12([C@@](COC([C@]2(C)[H])=O)([C@@](C)(CC1)[H])[H])[H]
SPLASH splash10-0532-9700000000-43a01c7b5cbd81d36408
Source of Spectrum I-68-627-3
Synonyms (+-)7-Epiisoiridomyrmecine (4S,4aR,7S,7aS)-4,7-dimethylhexahydrocyclopenta[c]pyran-3(1H)-one
Wiley ID 1164887