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MONOCYCLICKETONE
SpectraBase Compound ID k3lz5rKver
InChI InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)21-22-30(8)27(6)19-20-29(31)28(30)7/h13-15,18,27-28H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+
InChIKey NCOSIJSSLOKKEM-IEYWHCGYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cnfq87XY6Ov
Name 2,3,4-trimethyl-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]-1-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)21-22-30(8)27(6)19-20-29(31)28(30)7/h13-15,18,27-28H,9-12,16-17,19-22H2,1-8H3/b24-14+,25-18+,26-15+
InChIKey NCOSIJSSLOKKEM-IEYWHCGYSA-N
Molecular Weight 426.729 g/mol
SMILES C1(C(C(=O)CCC1C)C)(CC\C(=C\CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C
SPLASH splash10-014r-9720100000-5f1c6225a24118c95381
Source of Spectrum KC-0-790-17
Synonyms 2,3,4-trimethyl-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexan-1-one 2,3,4-trimethyl-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohexanone
Wiley ID 780990