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13,17-bis(2-methoxycarbonylethyl)-12,18-bis(methoxycarbonylmethyl)-2,2,8,8-tetramethylisobacteriochlorin
SpectraBase Compound ID 4QAqdvYaKkl
InChI InChI=1S/C38H46N4O8/c1-37(2)19-21-13-22-20-38(3,4)32(40-22)18-30-26(15-36(46)50-8)24(10-12-34(44)48-6)28(42-30)16-27-23(9-11-33(43)47-5)25(14-35(45)49-7)29(41-27)17-31(37)39-21/h13,16-19,23,25,42H,9-12,14-15,20H2,1-8H3/b22-13-,28-16-,29-17-,30-18-
InChIKey FPBJOQWGOASTAZ-ACNAOVGMSA-N
Mol Weight 686.8 g/mol
Molecular Formula C38H46N4O8
Exact Mass 686.331564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArLaXe0E2e9
Name 13,17-bis(2-methoxycarbonylethyl)-12,18-bis(methoxycarbonylmethyl)-2,2,8,8-tetramethylisobacteriochlorin
Alternate Name(s) Methyl 3-[5,19-bis(2-methoxy-2-oxoethyl)-20-(3-methoxy-3-oxopropyl)-9,9,15,15-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(21),2,4,6,8(23),11,13,16(22),17-nonaen-4-yl]propanoate
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Formula C38H46N4O8
InChI InChI=1S/C38H46N4O8/c1-37(2)19-21-13-22-20-38(3,4)32(40-22)18-30-26(15-36(46)50-8)24(10-12-34(44)48-6)28(42-30)16-27-23(9-11-33(43)47-5)25(14-35(45)49-7)29(41-27)17-31(37)39-21/h13,16-19,23,25,42H,9-12,14-15,20H2,1-8H3/b22-13-,28-16-,29-17-,30-18-
InChIKey FPBJOQWGOASTAZ-ACNAOVGMSA-N
Molecular Weight 686.806 g/mol
SMILES [nH]1c2cc3nc(cc4nc(cc5nc(cc1c(c2CC(=O)OC)CCC(=O)OC)C(C5CC(=O)OC)CCC(=O)OC)[c](c4)(C)C)CC3(C)C
SPLASH splash10-000i-0000009000-cd757664629756da47c8
Source of Spectrum KC-1987-1678-59
Wiley ID 1414545