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(2E,4E)-3-methyl-5-[(1S)-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienenitrile
SpectraBase Compound ID 6HG5gEWvV9F
InChI InChI=1S/C15H19NO2/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,18H,10H2,1-4H3/b7-5+,11-6+/t15-/m1/s1
InChIKey FQPXUJBMDBVFSK-SQGBXOFWSA-N
Mol Weight 245.32 g/mol
Molecular Formula C15H19NO2
Exact Mass 245.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36Yq1bSQpBX
Name (2E,4E)-3-methyl-5-[(1S)-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienenitrile
CAS Registry Number 130856-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO2
InChI InChI=1S/C15H19NO2/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-7,9,18H,10H2,1-4H3/b7-5+,11-6+/t15-/m1/s1
InChIKey FQPXUJBMDBVFSK-SQGBXOFWSA-N
Molecular Weight 245.322 g/mol
SMILES O[C@@]1(C(=CC(CC1(C)C)=O)C)\C=C\C(=C\C#N)C
SPLASH splash10-00dr-0900000000-389cfcd26e7495ac1c5f
Source of Spectrum H-73-1013-8
Synonyms (2E,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienenitrile (2E,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienenitrile (2E,4E)-5-[(1S)-1-hydroxy-4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienenitrile
Wiley ID 1248116