| SpectraBase Compound ID | Be52PQaSCdW |
|---|---|
| InChI | InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+ |
| InChIKey | SZLZWPPUNLXJEA-JXMROGBWSA-N |
| Mol Weight | 634.7 g/mol |
| Molecular Formula | C35H42N2O9 |
| Exact Mass | 634.289031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E1QGNYST2Oi |
|---|---|
| Name | RESCINNAMINE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H42N2O9 |
| InChI | InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+ |
| InChIKey | SZLZWPPUNLXJEA-JXMROGBWSA-N |
| Instrument Name | DI |
| Molecular Weight | 634.726 g/mol |
| SMILES | [nH]1c2c(c3CCN4CC5CC(C(C(C5CC4c13)C(OC)=O)OC)OC(\C=C\c1cc(OC)c(OC)c(OC)c1)=O)ccc(c2)OC |
| SPLASH | splash10-000l-7941000000-54cc14dd94c4b1cd7e75 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |