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(1'R,5'S,E)-4-(5'-Ethyl-2',6',6'-trimethylcyclohex-2'-enyl)but-3-en-2-one
SpectraBase Compound ID 6bypq2pA9tz
InChI InChI=1S/C15H24O/c1-6-13-9-7-11(2)14(15(13,4)5)10-8-12(3)16/h7-8,10,13-14H,6,9H2,1-5H3/b10-8+/t13-,14+/m0/s1
InChIKey CCBAZRXLKOKDOH-JSPBLOFBSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MEtAdIWd05
Name (1'R,5'S,E)-4-(5'-Ethyl-2',6',6'-trimethylcyclohex-2'-enyl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O
InChI InChI=1S/C15H24O/c1-6-13-9-7-11(2)14(15(13,4)5)10-8-12(3)16/h7-8,10,13-14H,6,9H2,1-5H3/b10-8+/t13-,14+/m0/s1
InChIKey CCBAZRXLKOKDOH-JSPBLOFBSA-N
Molecular Weight 220.356 g/mol
SMILES [C@]1(C([C@@](CC)(CC=C1C)[H])(C)C)(\C=C\C(=O)C)[H]
SPLASH splash10-0076-5910000000-492cb990643401bfe147
Source of Spectrum H-76-2081-0
Synonyms (3E)-4-[(1R,5S)-5-ethyl-2,6,6-trimethyl-2-cyclohexen-1-yl]-3-buten-2-one
Wiley ID 1220850