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(2E,4E)-3-methyl-5-[(1S,4S)-2,6,6-trimethyl-1,4-bis(oxidanyl)cyclohex-2-en-1-yl]penta-2,4-dienenitrile
SpectraBase Compound ID KrpTp5Kcv4u
InChI InChI=1S/C15H21NO2/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,13,17-18H,10H2,1-4H3/b7-5+,11-6+/t13-,15-/m1/s1
InChIKey JHYQFACGWRYPSE-UWGCVZOXSA-N
Mol Weight 247.34 g/mol
Molecular Formula C15H21NO2
Exact Mass 247.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ftnt8vgYUJQ
Name (2E,4E)-3-methyl-5-[(1S,4S)-2,6,6-trimethyl-1,4-bis(oxidanyl)cyclohex-2-en-1-yl]penta-2,4-dienenitrile
CAS Registry Number 130815-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21NO2
InChI InChI=1S/C15H21NO2/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,13,17-18H,10H2,1-4H3/b7-5+,11-6+/t13-,15-/m1/s1
InChIKey JHYQFACGWRYPSE-UWGCVZOXSA-N
Molecular Weight 247.338 g/mol
SMILES O[C@@]1(C=C([C@@](C(C1)(C)C)(\C=C\C(=C\C#N)C)O)C)[H]
SPLASH splash10-001i-0290000000-4e6018b896ea2cf572b9
Source of Spectrum H-73-1013-13
Synonyms (2E,4E)-5-[(1S,4S)-1,4-dihydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienenitrile (2E,4E)-5-[(1S,4S)-1,4-dihydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienenitrile
Wiley ID 1250153