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(4aR,6R,7R,7aS)-6-Hydroxy-7-methyl-hexahydro-cyclopenta[c]pyran-3-one
SpectraBase Compound ID HN9fjLEmoS2
InChI InChI=1S/C9H14O3/c1-5-7-4-12-9(11)3-6(7)2-8(5)10/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKey DPDXVBIWZBJGSX-WCTZXXKLSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrBcVBatbsy
Name (4aR,6R,7R,7aS)-6-Hydroxy-7-methyl-hexahydro-cyclopenta[c]pyran-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-5-7-4-12-9(11)3-6(7)2-8(5)10/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1
InChIKey DPDXVBIWZBJGSX-WCTZXXKLSA-N
Molecular Weight 170.208 g/mol
SMILES O[C@@]1(C[C@]2([C@@]([C@]1(C)[H])(COC(C2)=O)[H])[H])[H]
SPLASH splash10-0h00-0900000000-27c55594e53792cfdbe0
Source of Spectrum E2-46-1453-18
Synonyms (4aR,6R,7aS)-Tetrahydro-6-hydroxy-7-methylcyclopenta[c]pyran-3(1H)-one isomer (4aR,6R,7R,7aS)-6-hydroxy-7-methylhexahydrocyclopenta[c]pyran-3(1H)-one (4aR,6R,7R,7aS)-7-methyl-6-oxidanyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
Wiley ID 1554594