| SpectraBase Compound ID | 6jxWsLRlDit |
|---|---|
| InChI | InChI=1S/C17H17NO2S/c1-21-16-9-6-14(7-10-16)18-17(19)20-15-8-5-12-3-2-4-13(12)11-15/h5-11H,2-4H2,1H3,(H,18,19) |
| InChIKey | CJYPBOOPGSVDNQ-UHFFFAOYSA-N |
| Mol Weight | 299.39 g/mol |
| Molecular Formula | C17H17NO2S |
| Exact Mass | 299.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 155YP7QGQVL |
|---|---|
| Name | (4-Methylsulfanylphenyl)carbamic acid, indan-5-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.097999963 u |
| Formula | C17H17NO2S |
| InChI | InChI=1S/C17H17NO2S/c1-21-16-9-6-14(7-10-16)18-17(19)20-15-8-5-12-3-2-4-13(12)11-15/h5-11H,2-4H2,1H3,(H,18,19) |
| InChIKey | CJYPBOOPGSVDNQ-UHFFFAOYSA-N |
| Molecular Weight | 299.388 g/mol |
| SMILES | C(NC1=CC=C(SC)C=C1)(OC=1C=C2CCCC2=CC1)=O |