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(1aR*,3aS*,4aR*,5aR*,5bS*)-Octahydro-2,2-Dimethyl-3aH-dicyclopropa[a,g]pentalen-3a-ol
SpectraBase Compound ID 1PfFgrh9YfY
InChI InChI=1S/C12H18O/c1-10(2)6-11(13)4-7-3-8(7)12(11)5-9(10)12/h7-9,13H,3-6H2,1-2H3/t7-,8-,9-,11+,12+/m1/s1
InChIKey VRQLNBLGFPKSCK-ZRVQFKMMSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbKtbvxaDNb
Name (1aR*,3aS*,4aR*,5aR*,5bS*)-Octahydro-2,2-Dimethyl-3aH-dicyclopropa[a,g]pentalen-3a-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-10(2)6-11(13)4-7-3-8(7)12(11)5-9(10)12/h7-9,13H,3-6H2,1-2H3/t7-,8-,9-,11+,12+/m1/s1
InChIKey VRQLNBLGFPKSCK-ZRVQFKMMSA-N
Molecular Weight 178.275 g/mol
SMILES O[C@]12[C@@]3([C@]4([C@@]([H])(C2)C4)[H])[C@](C(C)(C)C1)([H])C3
SPLASH splash10-0002-0900000000-f29439402ad482f7acda
Source of Spectrum K1-0-4629-3
Synonyms (1aR,3aS,4aR,5aR,5bS)-2,2-dimethyloctahydro-3aH-dicyclopropa[a,g]pentalen-3a-ol
Wiley ID 1589695