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5-Hydroxymethyl-4-methyl-2-[4-(2,6,6-trimethylcyclohexenyl)-2-methylbuta-1,3-dienyl]-8-phenyl-1,6,8-triazabicyclo[4.3.0]non-3-en-7,9-dione

View entire compound with spectra: 1 MS (GC)

5-Hydroxymethyl-4-methyl-2-[4-(2,6,6-trimethylcyclohexenyl)-2-methylbuta-1,3-dienyl]-8-phenyl-1,6,8-triazabicyclo[4.3.0]non-3-en-7,9-dione
SpectraBase Compound ID L4bfhwXDMFC
InChI InChI=1S/C28H35N3O3/c1-19(13-14-24-20(2)10-9-15-28(24,4)5)16-23-17-21(3)25(18-32)31-27(34)29(26(33)30(23)31)22-11-7-6-8-12-22/h6-8,11-14,16-17,23,25,32H,9-10,15,18H2,1-5H3/b14-13+,19-16+
InChIKey TZCCFCVTROUSAC-MHTUQYMHSA-N
Mol Weight 461.6 g/mol
Molecular Formula C28H35N3O3
Exact Mass 461.267842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5Mkgb92Pjw
Name 5-Hydroxymethyl-4-methyl-2-[4-(2,6,6-trimethylcyclohexenyl)-2-methylbuta-1,3-dienyl]-8-phenyl-1,6,8-triazabicyclo[4.3.0]non-3-en-7,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35N3O3
InChI InChI=1S/C28H35N3O3/c1-19(13-14-24-20(2)10-9-15-28(24,4)5)16-23-17-21(3)25(18-32)31-27(34)29(26(33)30(23)31)22-11-7-6-8-12-22/h6-8,11-14,16-17,23,25,32H,9-10,15,18H2,1-5H3/b14-13+,19-16+
InChIKey TZCCFCVTROUSAC-MHTUQYMHSA-N
Molecular Weight 461.606 g/mol
SMILES OCC1N2C(N(C(N2C(C=C1C)\C=C\(\C=C\C1=C(CCCC1(C)C)C)C)=O)c1ccccc1)=O
SPLASH splash10-00di-0090100000-0a953beb34bd007615a7
Source of Spectrum AT-32-2382-3
Synonyms 5-(hydroxymethyl)-6-methyl-8-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadienyl]-2-phenyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
Wiley ID 835907