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1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-2,3,5,5-tetramethyl-, cis-(.+-.)-
SpectraBase Compound ID 36UvZUFExhp
InChI InChI=1S/C12H18O/c1-7-8(2)11(13)10-6-12(3,4)5-9(7)10/h9-10H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKey BKUUBQXZRFAZME-NXEZZACHSA-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 L98d9S20N5k
Name 1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-2,3,5,5-tetramethyl-, cis-(.+-.)-
CAS Registry Number 123675-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-7-8(2)11(13)10-6-12(3,4)5-9(7)10/h9-10H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKey BKUUBQXZRFAZME-NXEZZACHSA-N
Molecular Weight 178.275 g/mol
SMILES C1(=C(C(=O)[C@]2([C@@]1(CC(C)(C)C2)[H])[H])C)C
SPLASH splash10-00b9-0900000000-55156aabb722d5eeedfc
Source of Spectrum C-112-777-11
Synonyms (3aS,6aR)-2,3,5,5-tetramethyl-4,5,6,6a-tetrahydro-1(3aH)-pentalenone 3,4,7,7-Tetramethylbicyclo[3.3.0]oct-3-en2-one
Wiley ID 1174756