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5-Sec-butyl-1,3,3a,4,5,7a-hexahydro-2H-inden-2-one
SpectraBase Compound ID 7mUEW6sfLan
InChI InChI=1S/C13H20O/c1-3-9(2)10-4-5-11-7-13(14)8-12(11)6-10/h4-5,9-12H,3,6-8H2,1-2H3
InChIKey KQCYDOGZKYOUQW-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4znG5pGl2XG
Name 5-Sec-butyl-1,3,3a,4,5,7a-hexahydro-2H-inden-2-one
CAS Registry Number 70869-60-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-3-9(2)10-4-5-11-7-13(14)8-12(11)6-10/h4-5,9-12H,3,6-8H2,1-2H3
InChIKey KQCYDOGZKYOUQW-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
SMILES C1(C=CC2C(C1)CC(C2)=O)C(C)CC
SPLASH splash10-054o-9300000000-15796917ccfad7b9b912
Source of Spectrum FV-4-0-0
Synonyms (4R,S)-4-(2-Butyl)-cis-bicyclo[4.3.0]-2-nonen-8-one 5-Butan-2-yl-1,3,3a,4,5,7a-hexahydroinden-2-one 5-sec-butyl-1,3,3a,4,5,7a-hexahydroinden-2-one
Wiley ID 1189183