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Bis-4,4-[2-(tert-Butoxycarbonyl)amino]-3-methoxyphenyl]-1,4-dihydro-8-methoxy-2H-3,1-benzoxazin-2-one
SpectraBase Compound ID G7KjraV8dqP
InChI InChI=1S/C33H39N3O9/c1-31(2,3)44-28(37)34-25-19(13-10-16-22(25)40-7)33(21-15-12-18-24(42-9)27(21)43-30(39)36-33)20-14-11-17-23(41-8)26(20)35-29(38)45-32(4,5)6/h10-18H,1-9H3,(H,34,37)(H,35,38)(H,36,39)
InChIKey AEHLVMKWIGJLEN-UHFFFAOYSA-N
Mol Weight 621.7 g/mol
Molecular Formula C33H39N3O9
Exact Mass 621.26863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpnsvNdqZqU
Name Bis-4,4-[2-(tert-Butoxycarbonyl)amino]-3-methoxyphenyl]-1,4-dihydro-8-methoxy-2H-3,1-benzoxazin-2-one
Alternate Name(s) tert-Butyl 2-(4-{2-[(tert-butoxycarbonyl)amino]-3-methoxyphenyl}-8-methoxy-2-oxo-3,4-dihydro-2H-1,3-benzoxazin-4-yl)-6-methoxyphenylcarbamate
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Formula C33H39N3O9
InChI InChI=1S/C33H39N3O9/c1-31(2,3)44-28(37)34-25-19(13-10-16-22(25)40-7)33(21-15-12-18-24(42-9)27(21)43-30(39)36-33)20-14-11-17-23(41-8)26(20)35-29(38)45-32(4,5)6/h10-18H,1-9H3,(H,34,37)(H,35,38)(H,36,39)
InChIKey AEHLVMKWIGJLEN-UHFFFAOYSA-N
Molecular Weight 621.687 g/mol
SMILES N1C(Oc2c(C1(c1c(c(ccc1)OC)NC(OC(C)(C)C)=O)c1c(NC(OC(C)(C)C)=O)c(OC)ccc1)cccc2OC)=O
SPLASH splash10-004i-9000511000-437d8e6292ddf67e1ad9
Source of Spectrum J-61-5433-4
Wiley ID 1411601