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4,4,7a-Trimethyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one
SpectraBase Compound ID JDaUJ65XnbK
InChI InChI=1S/C12H18O/c1-11(2)5-4-6-12(3)8-9(13)7-10(11)12/h7H,4-6,8H2,1-3H3
InChIKey QMHLWXBRWYGWQR-UHFFFAOYSA-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 2WgCA2M4xzD
Name 4,4,7a-Trimethyl-1,4,5,6,7,7a-hexahydro-2H-inden-2-one
Classification Cyclic ketones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-11(2)5-4-6-12(3)8-9(13)7-10(11)12/h7H,4-6,8H2,1-3H3
InChIKey QMHLWXBRWYGWQR-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
Number of Peaks 10
SMILES C1CC2(CC(C=C2C(C1)(C)C)=O)C
SPLASH splash10-0a73-8900000000-e2bc6195c85033a856b6
Source of Spectrum FF-13-302-83 (DOI: 10.1002_(SICI)1099-1026(1998090)13_5_295)
Synonyms 4,4,7a-trimethyl-5,6,7,7a-tetrahydro-1H-inden-2(4H)-one
Wiley ID 1775209