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Dimethyl 3,3'-[3-{2"-(t-butoxycarbonyl)vinyl}-2,7,12,18-tetramethylporphyrin-13,17-diyl]-21H,23H-dipropionate
SpectraBase Compound ID 5IOcKS22u8C
InChI InChI=1S/C39H44N4O6/c1-21-16-25-17-30-22(2)26(10-13-36(44)47-8)34(41-30)20-35-27(11-14-37(45)48-9)23(3)32(43-35)19-31-24(4)28(33(42-31)18-29(21)40-25)12-15-38(46)49-39(5,6)7/h12,15-20,41-42H,10-11,13-14H2,1-9H3/b15-12+,25-17-,29-18-,30-17-,31-19-,32-19-,33-18-,34-20-,35-20-
InChIKey KIXSKSZWRZPEPE-NDLDZWSCSA-N
Mol Weight 664.8 g/mol
Molecular Formula C39H44N4O6
Exact Mass 664.326085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96fXWi0tB8t
Name Dimethyl 3,3'-[3-{2"-(t-butoxycarbonyl)vinyl}-2,7,12,18-tetramethylporphyrin-13,17-diyl]-21H,23H-dipropionate
CAS Registry Number 136001-13-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H44N4O6
InChI InChI=1S/C39H44N4O6/c1-21-16-25-17-30-22(2)26(10-13-36(44)47-8)34(41-30)20-35-27(11-14-37(45)48-9)23(3)32(43-35)19-31-24(4)28(33(42-31)18-29(21)40-25)12-15-38(46)49-39(5,6)7/h12,15-20,41-42H,10-11,13-14H2,1-9H3/b15-12+,25-17-,29-18-,30-17-,31-19-,32-19-,33-18-,34-20-,35-20-
InChIKey KIXSKSZWRZPEPE-NDLDZWSCSA-N
Molecular Weight 664.803 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)cc1C)\C=C\C(OC(C)(C)C)=O)C
SPLASH splash10-0bt9-0000029000-a8654eda48f2b50ae5e3
Source of Spectrum U-1992-330-8
Synonyms 3-[(E)-t-Butoxtcarbonylpropenyl]-2,712,18-tetramethyl-21H,23Hporphine-13,17-dipropyl dimethyl ester 3-[(E)-t-Butoxtcarbonylpropenyl]-2,7,12,18-tetramethyl-21H,23H-porphyrin-13,17-dipropyl dimethyl ester
Wiley ID 764037