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(3aS,6aR)-5,5-dimethyl-2,3,3a,4,6,6a-hexahydropentalen-1-one
SpectraBase Compound ID 3mV35cZq0Vq
InChI InChI=1S/C10H16O/c1-10(2)5-7-3-4-9(11)8(7)6-10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKey HTCXXOQBBXKJIN-JGVFFNPUSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5csUnsmyJ7j
Name (3aS,6aR)-5,5-dimethyl-2,3,3a,4,6,6a-hexahydropentalen-1-one
CAS Registry Number 115580-56-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-10(2)5-7-3-4-9(11)8(7)6-10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKey HTCXXOQBBXKJIN-JGVFFNPUSA-N
Molecular Weight 152.237 g/mol
SMILES [C@]12([C@](CC(C2)(C)C)(CCC1=O)[H])[H]
SPLASH splash10-0ktk-9700000000-b5aaa7df896adc3662d3
Source of Spectrum F-46-1865-10
Synonyms 7,7-Dimethylbicyclo[3.3.0]octan-2-one
Wiley ID 1149858