| SpectraBase Compound ID | GWHG30XRmes |
|---|---|
| InChI | InChI=1S/C34H42N4O2/c1-7-23-19(3)27-15-28-21(5)25(11-9-13-39)33(37-28)18-34-26(12-10-14-40)22(6)30(38-34)17-32-24(8-2)20(4)29(36-32)16-31(23)35-27/h15-18,35,38-40H,7-14H2,1-6H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18- |
| InChIKey | KMDFSBZXPSKZOR-MFBGAUBSSA-N |
| Mol Weight | 538.7 g/mol |
| Molecular Formula | C34H42N4O2 |
| Exact Mass | 538.330777 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 58hYYRMpRow |
|---|---|
| Name | 2,18-Porphinedipropanol, 7,12-diethyl-3,8,13,17-tetramethyl- |
| Alternate Name(s) | 2,7,12,18-Tetramethyl-3,8-diethyl-13,17-bis(3-hydroxypropyl)porphyrin 2,3-Porphinedipropanol, 6,8-diethyl-1,4,5,7-tetramethyl- 21H,23H-Porphine-2,18-dipropanol, 7,12-diethyl-3,8,13,17-tetramethyl- 2,4-Diethyl-6,7-bis(3-hydroxypropyl)-1,3,5,8-tetramethyl-porphyrin 3-[10,15-diethyl-20-(3-hydroxypropyl)-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]-1-propanol |
| CAS Registry Number | 10199-94-7 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H42N4O2 |
| InChI | InChI=1S/C34H42N4O2/c1-7-23-19(3)27-15-28-21(5)25(11-9-13-39)33(37-28)18-34-26(12-10-14-40)22(6)30(38-34)17-32-24(8-2)20(4)29(36-32)16-31(23)35-27/h15-18,35,38-40H,7-14H2,1-6H3/b27-15-,28-15-,29-16-,30-17-,31-16-,32-17-,33-18-,34-18- |
| InChIKey | KMDFSBZXPSKZOR-MFBGAUBSSA-N |
| Molecular Weight | 538.736 g/mol |
| SMILES | [nH]1c2cc3nc(c(CCCO)c3C)cc3c(c(c(cc4nc(cc1c(c2C)CC)c(c4CC)C)[nH]3)C)CCCO |
| SPLASH | splash10-000i-0000190000-85d1356edaed609f0bb9 |
| Source of Spectrum | HC-23-181-0 |
| Wiley ID | 1404396 |