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(3aS,4S,6aS)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
SpectraBase Compound ID CTefPFzeQz6
InChI InChI=1S/C8H12O2/c9-7-3-1-5-6(7)2-4-8(5)10/h5-7,9H,1-4H2/t5-,6-,7-/m0/s1
InChIKey IBYJCKZQUSJXOW-ACZMJKKPSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAeigD22BKB
Name (3aS,4S,6aS)-4-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Alternate Name(s) (3aS,4S,6aS)-4-oxidanyl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c9-7-3-1-5-6(7)2-4-8(5)10/h5-7,9H,1-4H2/t5-,6-,7-/m0/s1
InChIKey IBYJCKZQUSJXOW-ACZMJKKPSA-N
Molecular Weight 140.182 g/mol
SMILES O[C@@]1([C@@]2([C@@](C(CC2)=O)(CC1)[H])[H])[H]
SPLASH splash10-001i-9100000000-9854122184da53877e92
Source of Spectrum E1-46-20-10
Wiley ID 1554187