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Dimethyl 3,3'-[7-(dimethylcarbamoyl)methyl-8-heptylidene-2,7,12,18-tetramethyl-7,8-dihydroporphyrine-13,17-diyl]dipropionate
SpectraBase Compound ID 8NbO8XTmKdl
InChI InChI=1S/C43H55N5O5/c1-10-11-12-13-14-15-32-38-23-35-28(4)31(17-19-42(51)53-9)37(46-35)24-36-30(16-18-41(50)52-8)27(3)34(45-36)22-33-26(2)20-29(44-33)21-39(47-38)43(32,5)25-40(49)48(6)7/h15,20-24,44,46H,10-14,16-19,25H2,1-9H3/b29-21-,32-15+,33-22-,34-22-,35-23-,36-24-,37-24-,38-23-,39-21-
InChIKey PMCFJILYELCMMT-ZRUXUJAZSA-N
Mol Weight 721.9 g/mol
Molecular Formula C43H55N5O5
Exact Mass 721.42032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jpiw4RFxeRz
Name Dimethyl 3,3'-[7-(dimethylcarbamoyl)methyl-8-heptylidene-2,7,12,18-tetramethyl-7,8-dihydroporphyrine-13,17-diyl]dipropionate
CAS Registry Number 138666-09-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H55N5O5
InChI InChI=1S/C43H55N5O5/c1-10-11-12-13-14-15-32-38-23-35-28(4)31(17-19-42(51)53-9)37(46-35)24-36-30(16-18-41(50)52-8)27(3)34(45-36)22-33-26(2)20-29(44-33)21-39(47-38)43(32,5)25-40(49)48(6)7/h15,20-24,44,46H,10-14,16-19,25H2,1-9H3/b29-21-,32-15+,33-22-,34-22-,35-23-,36-24-,37-24-,38-23-,39-21-
InChIKey PMCFJILYELCMMT-ZRUXUJAZSA-N
Molecular Weight 721.943 g/mol
SMILES [nH]1c2c(cc1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)\C(C1(CC(N(C)C)=O)C)=C/CCCCCC)C
SPLASH splash10-0079-0000009400-c324fa27b34a82d176b5
Source of Spectrum U-1992-334-11
Synonyms Methyl 3-[(15Z)-14-[2-(dimethylamino)-2-oxoethyl]-15-heptylidene-20-(3-methoxy-3-oxopropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),16,18-decaen-4-yl]propanoate
Wiley ID 764023