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Adoutine Y'
SpectraBase Compound ID 90pnzhH97fM
InChI InChI=1S/C31H42N4O4/c1-7-21(4)26-30(37)32-18-17-22-13-15-24(16-14-22)39-28(20(2)3)27(31(38)33-26)34-29(36)25(35(5)6)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,37)(H,33,38)(H,34,36)/b18-17-
InChIKey NFJKQANKUCVGAW-ZCXUNETKSA-N
Mol Weight 534.7 g/mol
Molecular Formula C31H42N4O4
Exact Mass 534.320606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUMQkHYJN9K
Name Adoutine Y'
Alternate Name(s) N-[(2Z)-6-butan-2-yl-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-3-phenylpropanamide 2-(dimethylamino)-N-[(2Z)-10-isopropyl-5,8-dioxo-6-sec-butyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-phenyl-propanamide N-[(2Z)-6-butan-2-yl-5,8-bis(oxidanylidene)-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-3-phenyl-propanamide
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Formula C31H42N4O4
InChI InChI=1S/C31H42N4O4/c1-7-21(4)26-30(37)32-18-17-22-13-15-24(16-14-22)39-28(20(2)3)27(31(38)33-26)34-29(36)25(35(5)6)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,37)(H,33,38)(H,34,36)/b18-17-
InChIKey NFJKQANKUCVGAW-ZCXUNETKSA-N
Molecular Weight 534.701 g/mol
SMILES N1C(C(N\C=C/c2ccc(OC(C(C1=O)NC(C(N(C)C)Cc1ccccc1)=O)C(C)C)cc2)=O)C(CC)C
SPLASH splash10-000b-3900200000-81db65dd340982f7ffe7
Source of Spectrum X4-58-552-1
Wiley ID 1605909