| SpectraBase Compound ID | 6dbQ39CfNtp |
|---|---|
| InChI | InChI=1S/C45H31N5O3/c1-53-45-43-41(31-20-12-5-13-21-31)37-27-25-35(48-37)39(29-16-8-3-9-17-29)33-23-22-32(46-33)38(28-14-6-2-7-15-28)34-24-26-36(47-34)40(30-18-10-4-11-19-30)42(49-43)44(45)50(51)52/h2-27,47-48H,1H3/b38-32-,38-34-,39-33-,39-35-,40-36-,41-37-,42-40-,43-41- |
| InChIKey | GZBQDOVOJOALRX-LENQWZQXSA-N |
| Mol Weight | 689.8 g/mol |
| Molecular Formula | C45H31N5O3 |
| Exact Mass | 689.24269 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GMY1tRWDPid |
|---|---|
| Name | 2-Methoxy-3-nitro-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin |
| Alternate Name(s) | 9-Methoxy-10-nitro-2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene Methyl 5-nitro-2,7,12,17-tetraphenyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl ether |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H31N5O3 |
| InChI | InChI=1S/C45H31N5O3/c1-53-45-43-41(31-20-12-5-13-21-31)37-27-25-35(48-37)39(29-16-8-3-9-17-29)33-23-22-32(46-33)38(28-14-6-2-7-15-28)34-24-26-36(47-34)40(30-18-10-4-11-19-30)42(49-43)44(45)50(51)52/h2-27,47-48H,1H3/b38-32-,38-34-,39-33-,39-35-,40-36-,41-37-,42-40-,43-41- |
| InChIKey | GZBQDOVOJOALRX-LENQWZQXSA-N |
| Molecular Weight | 689.775 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4c(c(c(c2-c2ccccc2)n4)OC)N(=O)=O)-c2ccccc2)cc3)-c2ccccc2)cc1)-c1ccccc1 |
| SPLASH | splash10-000f-0000009000-7e8986905d6f2a72514c |
| Source of Spectrum | KC-0-1258-11 |
| Wiley ID | 785762 |