![Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-methoxyphenyl)sulfonyl]-](/api/spectrum/CI6eWVcxk6m/structure.png?h=300&w=458 "Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-methoxyphenyl)sulfonyl]-")
| SpectraBase Compound ID | gD15SwRkNg |
|---|---|
| InChI | InChI=1S/C16H17NO3S/c1-20-15-6-8-16(9-7-15)21(18,19)17-11-10-13-4-2-3-5-14(13)12-17/h2-9H,10-12H2,1H3 |
| InChIKey | PGZXXCFFLOZHAQ-UHFFFAOYSA-N |
| Mol Weight | 303.38 g/mol |
| Molecular Formula | C16H17NO3S |
| Exact Mass | 303.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CI6eWVcxk6m |
|---|---|
| Name | Isoquinoline, 1,2,3,4-tetrahydro-2-[(4-methoxyphenyl)sulfonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.092914582 u |
| Formula | C16H17NO3S |
| InChI | InChI=1S/C16H17NO3S/c1-20-15-6-8-16(9-7-15)21(18,19)17-11-10-13-4-2-3-5-14(13)12-17/h2-9H,10-12H2,1H3 |
| InChIKey | PGZXXCFFLOZHAQ-UHFFFAOYSA-N |
| Molecular Weight | 303.376 g/mol |
| SMILES | C1=CC=2CCN(S(C3=CC=C(C=C3)OC)(=O)=O)CC2C=C1 |