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4H-Inden-4-one, octahydro-3a,5,5-trimethyl-, cis-
SpectraBase Compound ID IyvzNgfODAl
InChI InChI=1S/C12H20O/c1-11(2)8-6-9-5-4-7-12(9,3)10(11)13/h9H,4-8H2,1-3H3/t9-,12-/m1/s1
InChIKey WBWVXVWCGIUEBY-BXKDBHETSA-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 GCTodXTlOxD
Name 4H-Inden-4-one, octahydro-3a,5,5-trimethyl-, cis-
CAS Registry Number 94069-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-11(2)8-6-9-5-4-7-12(9,3)10(11)13/h9H,4-8H2,1-3H3/t9-,12-/m1/s1
InChIKey WBWVXVWCGIUEBY-BXKDBHETSA-N
Molecular Weight 180.291 g/mol
SMILES [C@]12(C(C(C)(C)CC[C@]2(CCC1)[H])=O)C
SPLASH splash10-029t-9200000000-33c57279c1de51f4be4b
Source of Spectrum J-50-178-18
Synonyms (3aR,7aR)-3a,5,5-trimethyloctahydro-4H-inden-4-one Trimethylhexahydroindanone
Wiley ID 1176898