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1,4-Naphthalenedione, 2-dodecyl-5,6,7,8-tetrahydro-3-[(methylnitrosoamino)methyl]-
SpectraBase Compound ID 1yPoe0HaaVf
InChI InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-24-22(19-23(21)27)26(2,3)20-25(28)29-24/h18-19,27H,4-17,20H2,1-3H3
InChIKey KRJCIKKSVLQFPA-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SwhdtVgFOx
Name 1,4-Naphthalenedione, 2-dodecyl-5,6,7,8-tetrahydro-3-[(methylnitrosoamino)methyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-24-22(19-23(21)27)26(2,3)20-25(28)29-24/h18-19,27H,4-17,20H2,1-3H3
InChIKey KRJCIKKSVLQFPA-UHFFFAOYSA-N
Molecular Weight 402.619 g/mol
SMILES Oc1c(CCCCCCCCCCCCCCC)cc2OC(=O)CC(C)(C)c2c1
SPLASH splash10-0zfr-9531600000-0293dc6709f31ea419f4
Source of Spectrum JX-2015-4-32
Synonyms 6-Hydroxy-4,4-dimethyl-7-pentadecylchroman-2-one 2-Dodecyl-3-{[methyl(nitroso)amino]methyl}-5,6,7,8-tetrahydronaphthalene-1,4-dione 6-Hydroxy-4,4-dimethyl-7-pentadecyl-3,4-dihydro-2H-1-benzopyran-2-one 6-Hydroxy-4,4-dimethyl-7-pentadecyl-3H-chromen-2-one 4,4-Dimethyl-6-oxidanyl-7-pentadecyl-3H-chromen-2-one
Wiley ID 1725489