| SpectraBase Compound ID | CiPJwR2JSLA |
|---|---|
| InChI | InChI=1S/C42H60N6/c1-11-31-27(7)35-23-36-29(9)33(19-17-21-47(13-3)14-4)41(45-36)26-42-34(20-18-22-48(15-5)16-6)30(10)38(46-42)25-40-32(12-2)28(8)37(44-40)24-39(31)43-35/h23-26,43,46H,11-22H2,1-10H3/b35-23-,36-23-,37-24-,38-25-,39-24-,40-25-,41-26-,42-26- |
| InChIKey | NDTKAIGSCHLANO-XGAKKYBISA-N |
| Mol Weight | 649.0 g/mol |
| Molecular Formula | C42H60N6 |
| Exact Mass | 648.487946 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IQO0gId3ykj |
|---|---|
| Name | 2,7,12,18-Tetramethyl-3,8-diethyl-13,17-bis(3-N,N-diethylaminopropyl)porphyrin |
| Alternate Name(s) | 3-[20-[3-(diethylamino)propyl]-10,15-diethyl-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]-N,N-diethyl-1-propanamine N-{3-[20-[3-(diethylamino)propyl]-10,15-diethyl-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]propyl}-N,N-diethylamine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H60N6 |
| InChI | InChI=1S/C42H60N6/c1-11-31-27(7)35-23-36-29(9)33(19-17-21-47(13-3)14-4)41(45-36)26-42-34(20-18-22-48(15-5)16-6)30(10)38(46-42)25-40-32(12-2)28(8)37(44-40)24-39(31)43-35/h23-26,43,46H,11-22H2,1-10H3/b35-23-,36-23-,37-24-,38-25-,39-24-,40-25-,41-26-,42-26- |
| InChIKey | NDTKAIGSCHLANO-XGAKKYBISA-N |
| Molecular Weight | 648.984 g/mol |
| SMILES | [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C)CCCN(CC)CC)c(c3CC)C)c(c1CC)C)C)CCCN(CC)CC |
| SPLASH | splash10-0udi-0000900000-5866c33c0a72bf732755 |
| Source of Spectrum | HC-23-184-0 |
| Wiley ID | 1413050 |