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2-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)-N,N-diisopentyl-3-methylbutanamide
SpectraBase Compound ID IjiYBWVcpqW
InChI InChI=1S/C23H36N2O4/c1-14(2)8-10-25(11-9-15(3)4)23(29)22(16(5)6)18-12-21(28)19(13-20(18)27)24-17(7)26/h12-16,22H,8-11H2,1-7H3,(H,24,26)
InChIKey ISJBSPGWHTUDBW-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C23H36N2O4
Exact Mass 404.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yRZUfeuK9c
Name 2-(4-acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)-N,N-diisopentyl-3-methylbutanamide
Appearance Yellow-color solid powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36N2O4
InChI InChI=1S/C23H36N2O4/c1-14(2)8-10-25(11-9-15(3)4)23(29)22(16(5)6)18-12-21(28)19(13-20(18)27)24-17(7)26/h12-16,22H,8-11H2,1-7H3,(H,24,26)
InChIKey ISJBSPGWHTUDBW-UHFFFAOYSA-N
Instrument Name Agilent 5890-5972 or JOEL JMS SX/SX 102A
Ionization Type EI positive ion
Literature Reference DOI 10.1002/jccs.202000122
Molecular Weight 404.551 g/mol
Reported Formula C23H36N2O4
SMILES N(C(C)=O)C=1C(C=C(C(C1)=O)C(C(=O)N(CCC(C)C)CCC(C)C)C(C)C)=O
SPLASH splash10-0a4i-2940100000-ab68de25ac8e484cc63f
Source of Spectrum QA-67-SM55-6a
Wiley ID 1856317