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2(1H)-Pentalenone, hexahydro-1,3a,4,6a-tetramethyl-, [1S-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]-
SpectraBase Compound ID A28ZIQgEyFt
InChI InChI=1S/C12H20O/c1-8-5-6-11(3)9(2)10(13)7-12(8,11)4/h8-9H,5-7H2,1-4H3
InChIKey QAULUGCHVONDBW-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58LAtGAdivy
Name 2(1H)-Pentalenone, hexahydro-1,3a,4,6a-tetramethyl-, [1S-(1.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]-
CAS Registry Number 81674-86-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-8-5-6-11(3)9(2)10(13)7-12(8,11)4/h8-9H,5-7H2,1-4H3
InChIKey QAULUGCHVONDBW-UHFFFAOYSA-N
Molecular Weight 180.291 g/mol
SMILES C12(C(CC(C2C)=O)(C(C)CC1)C)C
SPLASH splash10-053r-2900000000-eb0616c690d7de4d8fd9
Source of Spectrum AJ-56-1131-22
Synonyms 1,2,5,6-Tetramethylbicyclo[3.3.0]octan-3-one 1,3a,4,6a-tetramethylhexahydro-2(1H)-pentalenone
Wiley ID 1176948