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METHYL-11,11-DIMETHYL-2,10-DIOXO-20-OXA-DIAZAPENTACYCLO-[10.7.1.0(1,9).0(3,8).0(13,18)]-EICOSA-3,5,7,13,15,17-HEXAENE-12-CARBOXYLATE

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METHYL-11,11-DIMETHYL-2,10-DIOXO-20-OXA-DIAZAPENTACYCLO-[10.7.1.0(1,9).0(3,8).0(13,18)]-EICOSA-3,5,7,13,15,17-HEXAENE-12-CARBOXYLATE
SpectraBase Compound ID ArKiT6vaf44
InChI InChI=1S/C21H18N2O5/c1-19(2)17(25)23-15-11-7-4-8-12(15)16(24)21(23)22-14-10-6-5-9-13(14)20(19,28-21)18(26)27-3/h4-11,22H,1-3H3
InChIKey UDIUDIDVWVEROK-UHFFFAOYSA-N
Mol Weight 378.38 g/mol
Molecular Formula C21H18N2O5
Exact Mass 378.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52StFR55fLN
Name 13H-5,13a-Epoxyindolo[2,1-b][1,3]benzodiazocine-5(14H)-carboxylic acid, 6,7-dihydro-6,6-dimethyl-7,13-dioxo-, methyl ester
Alternate Name(s) Methyl 11,11-dimethyl-2,10-dioxo-20-oxa-9,19-diazapentacyclo[10.7.1.0(1,9).0(3,8).0(13,18)]eicosa-3,5,7,13,15,17-hexaene-12-carboxylate Methyl 11,11-dimethyl-2,10-dioxo-20-oxa-9,19-diazapentacyclo[10.7.1.0(1,9).0(3,8).0(13,18)]icosa-3,5,7,13,15,17-hexaene-12-carboxylate
CAS Registry Number 116070-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O5
InChI InChI=1S/C21H18N2O5/c1-19(2)17(25)23-15-11-7-4-8-12(15)16(24)21(23)22-14-10-6-5-9-13(14)20(19,28-21)18(26)27-3/h4-11,22H,1-3H3
InChIKey UDIUDIDVWVEROK-UHFFFAOYSA-N
Molecular Weight 378.384 g/mol
SMILES N1c2c(C3(C(C(N4C1(O3)C(c1ccccc41)=O)=O)(C)C)C(=O)OC)cccc2
SPLASH splash10-0002-1692000000-e0d483931de5329cfe27
Source of Spectrum B-40-1976-4
Wiley ID 1358764