| SpectraBase Compound ID | 4CubbPE5KTF |
|---|---|
| InChI | InChI=1S/C40H31N5O2/c1-46-30-7-3-5-25(21-30)39-32-15-13-28(42-32)23-29-14-16-33(43-29)40(26-6-4-8-31(22-26)47-2)37-20-18-35(45-37)38(34-17-19-36(39)44-34)24-9-11-27(41)12-10-24/h3-23,42,45H,41H2,1-2H3/b28-23-,29-23-,38-34-,38-35-,39-32-,39-36-,40-33-,40-37- |
| InChIKey | FPBZMLNOPGHUNS-VNMQOQBUSA-N |
| Mol Weight | 613.7 g/mol |
| Molecular Formula | C40H31N5O2 |
| Exact Mass | 613.247775 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FnjbLwTbx84 |
|---|---|
| Name | 5-(4-Aminophenyl)-10,20-di(3-methoxyphenyl)porphyrin |
| Alternate Name(s) | 4-[7,17-bis(3-methoxyphenyl)-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-undecaen-2-yl]aniline 4-[7,17-bis(3-methoxyphenyl)-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-undecaen-2-yl]phenylamine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H31N5O2 |
| InChI | InChI=1S/C40H31N5O2/c1-46-30-7-3-5-25(21-30)39-32-15-13-28(42-32)23-29-14-16-33(43-29)40(26-6-4-8-31(22-26)47-2)37-20-18-35(45-37)38(34-17-19-36(39)44-34)24-9-11-27(41)12-10-24/h3-23,42,45H,41H2,1-2H3/b28-23-,29-23-,38-34-,38-35-,39-32-,39-36-,40-33-,40-37- |
| InChIKey | FPBZMLNOPGHUNS-VNMQOQBUSA-N |
| Molecular Weight | 613.721 g/mol |
| SMILES | [nH]1c2cc3nc(c(c4ccc(c(-c5ccc(cc5)N)c5nc(c(c1cc2)-c1cc(OC)ccc1)cc5)[nH]4)-c1cc(OC)ccc1)cc3 |
| SPLASH | splash10-03di-0000009000-74bf07795e30fc3c3f13 |
| Source of Spectrum | KC-91-5551-39 |
| Wiley ID | 1629478 |