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N-BOC-2,5-bis(2-amino-1,3-bisethoxycarbonyl-6-azulenyl)pyrrole
SpectraBase Compound ID enXGb76E6o
InChI InChI=1S/C41H43N3O10/c1-8-50-36(45)30-24-16-12-22(13-17-25(24)31(34(30)42)37(46)51-9-2)28-20-21-29(44(28)40(49)54-41(5,6)7)23-14-18-26-27(19-15-23)33(39(48)53-11-4)35(43)32(26)38(47)52-10-3/h12-21H,8-11,42-43H2,1-7H3
InChIKey FUXBLZBAEVZVTR-UHFFFAOYSA-N
Mol Weight 737.8 g/mol
Molecular Formula C41H43N3O10
Exact Mass 737.294845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6los2yH0msN
Name N-BOC-2,5-bis(2-amino-1,3-bisethoxycarbonyl-6-azulenyl)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H43N3O10
InChI InChI=1S/C41H43N3O10/c1-8-50-36(45)30-24-16-12-22(13-17-25(24)31(34(30)42)37(46)51-9-2)28-20-21-29(44(28)40(49)54-41(5,6)7)23-14-18-26-27(19-15-23)33(39(48)53-11-4)35(43)32(26)38(47)52-10-3/h12-21H,8-11,42-43H2,1-7H3
InChIKey FUXBLZBAEVZVTR-UHFFFAOYSA-N
Molecular Weight 737.806 g/mol
SMILES Nc1c(c2ccc(-c3[n](c(-c4ccc5c(c(c(c5C(=O)OCC)N)C(=O)OCC)cc4)cc3)C(OC(C)(C)C)=O)ccc2c1C(=O)OCC)C(=O)OCC
SPLASH splash10-0a5a-0900010000-020cfb77a7de682f80da
Source of Spectrum C5-2002-1016-14
Synonyms Diethyl 2-amino-6-[5-[2-amino-1,3-bis(ethoxycarbonyl)-6-azulenyl]-1-(tert-butoxycarbonyl)-1H-pyrrol-2-yl]-1,3-azulenedicarboxylate
Wiley ID 1614656