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Oxasulfprotoporphyrin-C Dimethyl ester
SpectraBase Compound ID DQsjPlJov7f
InChI InChI=1S/C36H38N4O5/c1-8-22-19(2)26-15-27-20(3)23(9-11-34(41)43-6)29(37-27)17-30-24(10-12-35(42)44-7)21(4)28(38-30)16-32-25-13-14-45-36(25,5)33(40-32)18-31(22)39-26/h8,13,15-18,38-39H,1,9-12,14H2,2-7H3/b26-15-,27-15-,28-16-,29-17-,30-17-,31-18-,32-16-,33-18-
InChIKey LGYLTJZKQHCTDV-WCKSELKUSA-N
Mol Weight 606.7 g/mol
Molecular Formula C36H38N4O5
Exact Mass 606.28422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GB03y6m43l5
Name Oxasulfprotoporphyrin-C Dimethyl ester
Alternate Name(s) Methyl 3-[5-(3-methoxy-3-oxopropyl)-4,10,14,19-tetramethyl-15-vinyl-20-oxa-24,25,26,27-tetraazahexacyclo[16.5.1.1(3,6).1(8,11).1(13,16).0(19,23)]heptacosa-1,3,5,7,9,11(26),12,14,16,18(24),22-undecaen-9-yl]propanoate
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Formula C36H38N4O5
InChI InChI=1S/C36H38N4O5/c1-8-22-19(2)26-15-27-20(3)23(9-11-34(41)43-6)29(37-27)17-30-24(10-12-35(42)44-7)21(4)28(38-30)16-32-25-13-14-45-36(25,5)33(40-32)18-31(22)39-26/h8,13,15-18,38-39H,1,9-12,14H2,2-7H3/b26-15-,27-15-,28-16-,29-17-,30-17-,31-18-,32-16-,33-18-
InChIKey LGYLTJZKQHCTDV-WCKSELKUSA-N
Molecular Weight 606.723 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)C2(C4=CCO2)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C)C=C
SPLASH splash10-0a4i-0030079000-1754038e19d197353e9a
Source of Spectrum F-52-1140-5
Wiley ID 794925