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Benzenepropanamide, .alpha.-(dimethylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3R*,4S*(S*),7S*]]-
SpectraBase Compound ID 2vseC9Yy8Qg
InChI InChI=1S/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-
InChIKey KCFAADIKGBVBFW-VXPUYCOJSA-N
Mol Weight 568.7 g/mol
Molecular Formula C34H40N4O4
Exact Mass 568.304956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6tzdASZTMh
Name Benzenepropanamide, .alpha.-(dimethylamino)-N-[7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-, [3R-[3R*,4S*(S*),7S*]]-
CAS Registry Number 23926-98-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H40N4O4
InChI InChI=1S/C34H40N4O4/c1-23(2)21-28-32(39)35-20-19-24-15-17-27(18-16-24)42-31(26-13-9-6-10-14-26)30(34(41)36-28)37-33(40)29(38(3)4)22-25-11-7-5-8-12-25/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-
InChIKey KCFAADIKGBVBFW-VXPUYCOJSA-N
Molecular Weight 568.718 g/mol
SMILES N1C(C(NC(=O)C(Cc2ccccc2)N(C)C)C(Oc2ccc(\C=C/NC(C1CC(C)C)=O)cc2)c1ccccc1)=O
SPLASH splash10-0002-6900100000-8ef3abd11e9e5b1cf2d8
Source of Spectrum C-91-5622-2
Synonyms 2-(Dimethylamino)-N-[7-isobutyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylpropanamide Ceanothine E 2-(dimethylamino)-N-[(2Z)-6-(2-methylpropyl)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenylpropanamide 2-(dimethylamino)-N-[(2Z)-6-isobutyl-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenyl-propanamide 2-(dimethylamino)-N-[(2Z)-6-(2-methylpropyl)-5,8-bis(oxidanylidene)-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenyl-propanamide
Wiley ID 64761