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2-Ethyl-3,7,13-trimethyl-8,12-bis(carbomethoxyethyl)-14-formyltripyrrin-1(15H)-one
SpectraBase Compound ID JeObrQFSpzh
InChI InChI=1S/C28H33N3O6/c1-7-18-15(2)22(31-28(18)35)12-21-16(3)19(8-10-26(33)36-5)23(29-21)13-24-20(9-11-27(34)37-6)17(4)25(14-32)30-24/h12-14,30H,7-11H2,1-6H3,(H,31,35)/b22-12-,23-13-
InChIKey PTMCPGYNUJWWJC-YFBGDSSHSA-N
Mol Weight 507.6 g/mol
Molecular Formula C28H33N3O6
Exact Mass 507.236936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANBjJDG73j1
Name 2-Ethyl-3,7,13-trimethyl-8,12-bis(carbomethoxyethyl)-14-formyltripyrrin-1(15H)-one
Alternate Name(s) Methyl 3-((2Z)-5-[(Z)-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-{[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylene}-4-methyl-2H-pyrrol-3-yl)propanoate
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Formula C28H33N3O6
InChI InChI=1S/C28H33N3O6/c1-7-18-15(2)22(31-28(18)35)12-21-16(3)19(8-10-26(33)36-5)23(29-21)13-24-20(9-11-27(34)37-6)17(4)25(14-32)30-24/h12-14,30H,7-11H2,1-6H3,(H,31,35)/b22-12-,23-13-
InChIKey PTMCPGYNUJWWJC-YFBGDSSHSA-N
Molecular Weight 507.587 g/mol
SMILES N1C(C(=C(\C1=C/C1=N\C(=C/c2c(c(C)c([nH]2)C=O)CCC(=O)OC)C(=C1C)CCC(=O)OC)C)CC)=O
SPLASH splash10-0a6r-1003960000-ff1f01dd24b214cb4a6b
Source of Spectrum C-113-7325-7
Wiley ID 1400028