| SpectraBase Spectrum ID |
2ZTlTpv3US3 |
| Name |
Dimethyl 3,3'-[3"-(1"'-hydroxybut-3"'-en-1"'-yl)-2",7",12",18"-tetramethyl-21H.23H-porphyrin-13",17"-diyl]-dipropionate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H40N4O5 |
| InChI |
InChI=1S/C36H40N4O5/c1-8-9-33(41)36-22(5)29-17-28-21(4)25(11-13-35(43)45-7)31(39-28)18-30-24(10-12-34(42)44-6)20(3)27(38-30)15-23-14-19(2)26(37-23)16-32(36)40-29/h8,14-18,33,38,40-41H,1,9-13H2,2-7H3/b23-15-,26-16-,27-15-,28-17-,29-17-,30-18-,31-18-,32-16- |
| InChIKey |
UUVRPGLVTLTYQF-ZKPAJRCKSA-N |
| Molecular Weight |
608.739 g/mol |
| SMILES |
[nH]1c2c(c(C(O)CC=C)c1cc1nc(cc3c(c(c(cc4nc(c2)c(c4CCC(=O)OC)C)[nH]3)CCC(=O)OC)C)cc1C)C |
| SPLASH |
splash10-0a4l-0000069000-954a56ef40bc3bdc7bc5 |
| Source of Spectrum |
U-1995-1037-9 |
| Wiley ID |
767006 |
![Dimethyl 3,3'-[3"-(1"'-hydroxybut-3"'-en-1"'-yl)-2",7",12",18"-tetramethyl-21H.23H-porphyrin-13",17"-diyl]-dipropionate](/api/spectrum/2ZTlTpv3US3/structure.png?h=300&w=458 "Dimethyl 3,3'-[3\"-(1\"'-hydroxybut-3\"'-en-1\"'-yl)-2\",7\",12\",18\"-tetramethyl-21H.23H-porphyrin-13\",17\"-diyl]-dipropionate")
