| SpectraBase Compound ID | 93st46SyMkb |
|---|---|
| InChI | InChI=1S/C26H37NO6S/c1-18(27-14-8-11-21(27)24(29)32-4)15-23(28)33-22-16-19-12-13-26(22,25(19,2)3)17-34(30,31)20-9-6-5-7-10-20/h5-7,9-10,18-19,21-22H,8,11-17H2,1-4H3/t18-,19+,21-,22-,26+/m1/s1 |
| InChIKey | DKXUEKYBYOGXSD-IEPPKHRRSA-N |
| Mol Weight | 491.6 g/mol |
| Molecular Formula | C26H37NO6S |
| Exact Mass | 491.234159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DLWa6qQqsl5 |
|---|---|
| Name | (1R)-(-)-10-Phenylsulfonylisobornyl (R)-3-[(2R)-(2-methoxycarbonylpyrrolid-1-yl)butanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H37NO6S |
| InChI | InChI=1S/C26H37NO6S/c1-18(27-14-8-11-21(27)24(29)32-4)15-23(28)33-22-16-19-12-13-26(22,25(19,2)3)17-34(30,31)20-9-6-5-7-10-20/h5-7,9-10,18-19,21-22H,8,11-17H2,1-4H3/t18-,19+,21-,22-,26+/m1/s1 |
| InChIKey | DKXUEKYBYOGXSD-IEPPKHRRSA-N |
| Molecular Weight | 491.643 g/mol |
| SMILES | [C@]12(C([C@](C[C@]2(OC(C[C@](N2[C@@](C(=O)OC)(CCC2)[H])(C)[H])=O)[H])(CC1)[H])(C)C)CS(=O)(=O)c1ccccc1 |
| SPLASH | splash10-001i-0000900000-3b40ed1393974e90e8d6 |
| Source of Spectrum | F-65-9123-24 |
| Wiley ID | 1678920 |