| SpectraBase Compound ID | nbZee0iryN |
|---|---|
| InChI | InChI=1S/C25H29NO6S2/c1-24(2,3)32-23(27)26-25-16-14-18(15-17-25)21(33(28,29)19-10-6-4-7-11-19)22(25)34(30,31)20-12-8-5-9-13-20/h4-14,16,18,21-22H,15,17H2,1-3H3,(H,26,27)/t18-,21+,22-,25-/m1/s1 |
| InChIKey | CHXWQAXWAZAKEB-LALUYCJQSA-N |
| Mol Weight | 503.63 g/mol |
| Molecular Formula | C25H29NO6S2 |
| Exact Mass | 503.14363 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F9i3GE2qHgG |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C25H29NO6S2 |
| InChI | InChI=1S/C25H29NO6S2/c1-24(2,3)32-23(27)26-25-16-14-18(15-17-25)21(33(28,29)19-10-6-4-7-11-19)22(25)34(30,31)20-12-8-5-9-13-20/h4-14,16,18,21-22H,15,17H2,1-3H3,(H,26,27)/t18-,21+,22-,25-/m1/s1 |
| InChIKey | CHXWQAXWAZAKEB-LALUYCJQSA-N |
| Molecular Weight | 503.1429 |
| SMILES | N([C@]12CC[C@@](C=C2)([C@@](C1S(c1ccccc1)(=O)=O)(S(c1ccccc1)(=O)=O)[H])[H])C(=O)OC(C)(C)C |
| SPLASH | splash10-08fr-9352000000-323fae47582af669abc5 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |