| SpectraBase Compound ID | D401mmLdrcA |
|---|---|
| InChI | InChI=1S/C18H17NO3S/c1-2-8-18(20)16-13-19(17-12-7-6-11-15(16)17)23(21,22)14-9-4-3-5-10-14/h3-7,9-13H,2,8H2,1H3 |
| InChIKey | SJHZXQIVIQWJTN-UHFFFAOYSA-N |
| Mol Weight | 327.4 g/mol |
| Molecular Formula | C18H17NO3S |
| Exact Mass | 327.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64llgQIl2r3 |
|---|---|
| Name | 1H-Indole, 3-(1-oxobutyl)-1-(phenylsulfonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.092914582 u |
| Formula | C18H17NO3S |
| InChI | InChI=1S/C18H17NO3S/c1-2-8-18(20)16-13-19(17-12-7-6-11-15(16)17)23(21,22)14-9-4-3-5-10-14/h3-7,9-13H,2,8H2,1H3 |
| InChIKey | SJHZXQIVIQWJTN-UHFFFAOYSA-N |
| Molecular Weight | 327.398 g/mol |
| SMILES | C=1(S(N2C=C(C(=O)CCC)C3=C2C=CC=C3)(=O)=O)C=CC=CC1 |