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1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-6,6a-dimethyl-, (3a.alpha.,6.alpha.,6a.alpha.)-
SpectraBase Compound ID 3RPgBIzclNf
InChI InChI=1S/C10H14O/c1-7-3-4-8-5-6-9(11)10(7,8)2/h5-8H,3-4H2,1-2H3/t7-,8+,10+/m0/s1
InChIKey QSFXIRAVTYTMEY-QXFUBDJGSA-N
Mol Weight 150.22 g/mol
Molecular Formula C10H14O
Exact Mass 150.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmXdQtdMZd7
Name 1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-6,6a-dimethyl-, (3a.alpha.,6.alpha.,6a.alpha.)-
CAS Registry Number 81825-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O
InChI InChI=1S/C10H14O/c1-7-3-4-8-5-6-9(11)10(7,8)2/h5-8H,3-4H2,1-2H3/t7-,8+,10+/m0/s1
InChIKey QSFXIRAVTYTMEY-QXFUBDJGSA-N
Molecular Weight 150.221 g/mol
SMILES [C@]12(C(C=C[C@]2(CC[C@@]1(C)[H])[H])=O)C
SPLASH splash10-0kar-7900000000-ba7673fe7c8233ddbd4b
Source of Spectrum H-65-23-0
Synonyms (1R*,5R*,8S*)-1,8-dimethylbicyclo[3.3.0]oct-3-en-2-one (3aR,6S,6aR)-6,6a-dimethyl-4,5,6,6a-tetrahydro-1(3aH)-pentalenone
Wiley ID 1147493