| SpectraBase Compound ID | 6skXsXCGsNc |
|---|---|
| InChI | InChI=1S/C27H37NO2S/c1-19(2)21-9-13-24-22(17-21)10-14-25-26(4,15-6-16-27(24,25)5)18-28-31(29,30)23-11-7-20(3)8-12-23/h7-9,11-13,17,19,25,28H,6,10,14-16,18H2,1-5H3/t25-,26?,27+/m0/s1 |
| InChIKey | DIKWDPZDTRXYBO-DRXLFZDCSA-N |
| Mol Weight | 439.7 g/mol |
| Molecular Formula | C27H37NO2S |
| Exact Mass | 439.254501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fLhKvTt2Nj |
|---|---|
| Name | N-Dehydroabietyl-4-methylbenzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 439.254500607 u |
| Formula | C27H37NO2S |
| InChI | InChI=1S/C27H37NO2S/c1-19(2)21-9-13-24-22(17-21)10-14-25-26(4,15-6-16-27(24,25)5)18-28-31(29,30)23-11-7-20(3)8-12-23/h7-9,11-13,17,19,25,28H,6,10,14-16,18H2,1-5H3/t25-,26?,27+/m0/s1 |
| InChIKey | DIKWDPZDTRXYBO-DRXLFZDCSA-N |
| Molecular Weight | 439.658 g/mol |
| SMILES | C(NS(C=1C=CC(=CC1)C)(=O)=O)C1([C@]2([C@](C=3C=CC(=CC3CC2)C(C)C)(C)CCC1)[H])C |