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(4aR,7aS)-Tetrahydro-6-oxo-7.beta.-methylcyclopenta[c]pyran-3(1H)-one isomer
SpectraBase Compound ID 2n0tnDKW0Uo
InChI InChI=1S/C9H12O3/c1-5-7-4-12-9(11)3-6(7)2-8(5)10/h5-7H,2-4H2,1H3/t5?,6-,7-/m1/s1
InChIKey PELWMKYAGUTYEA-JXBXZBNISA-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 9fdiqN4AI3b
Name (4aR,7aS)-Tetrahydro-6-oxo-7.beta.-methylcyclopenta[c]pyran-3(1H)-one isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5-7-4-12-9(11)3-6(7)2-8(5)10/h5-7H,2-4H2,1H3/t5?,6-,7-/m1/s1
InChIKey PELWMKYAGUTYEA-JXBXZBNISA-N
Molecular Weight 168.192 g/mol
SMILES [C@@]12([C@@](C(C)C(C2)=O)(COC(C1)=O)[H])[H]
SPLASH splash10-01ta-2900000000-902e49934f6f2ea4703e
Source of Spectrum E2-46-1453-16
Synonyms (4aR,7aS)-7-methyltetrahydrocyclopenta[c]pyran-3,6(1H,4H)-dione
Wiley ID 1554595