| SpectraBase Spectrum ID |
H2Q3kyDxAMu |
| Name |
1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)- |
| Alternate Name(s) |
8,12-bis[2-(methoxycarbonyl)ethyl]-3,7,13-trimethyl-1-oxo-2-vinyltripyrrin-14-carbaldehyde
Methyl 3-[(2E)-5-formyl-2-({3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(E)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methylene)-4-methyl-2H-pyrrol-3-yl]propanoate |
| CAS Registry Number |
113396-12-6 |
| Comments |
Edited after expert review for air contamination - Original record with SpectrumID 1399712 moved to the Legacy library |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H31N3O6 |
| InChI |
InChI=1S/C28H31N3O6/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/h7,12-14,29H,1,8-11H2,2-6H3,(H,31,35)/b22-12+,24-13+ |
| InChIKey |
YXDBDSSCTIDRLT-DAJSDIHVSA-N |
| Molecular Weight |
505.571 g/mol |
| SMILES |
[nH]1c(c(c(c1\C=C\1C(=C(C(N1)=O)C=C)C)C)CCC(=O)OC)\C=C/1N=C(C=O)C(=C1CCC(=O)OC)C |
| SPLASH |
splash10-052f-9801210000-130b1f7a4b0ad453a8e2 |
| Source of Spectrum |
AJ-60-4048-0 |
| Wiley ID |
1820955 |
![1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)-](/api/spectrum/H2Q3kyDxAMu/structure.png?h=300&w=458 "1H-Pyrrole-3-propanoic acid, 5-[(4-ethenyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-2-[[5-formyl-3-(3-methoxy-3-oxopropyl)-4-methyl-2H-pyrrol-2-ylidene]methyl]-4-methyl-, methyl ester, (Z,Z)-")
