| SpectraBase Compound ID | IkL6q4Xe1l2 |
|---|---|
| InChI | InChI=1S/C11H12O3S/c12-10(13)7-15-11-9-4-2-1-3-8(9)5-6-14-11/h1-4,11H,5-7H2,(H,12,13) |
| InChIKey | CIKDYUVRCVVHBJ-UHFFFAOYSA-N |
| Mol Weight | 224.27 g/mol |
| Molecular Formula | C11H12O3S |
| Exact Mass | 224.050715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5uoPPUqpADY |
|---|---|
| Name | 3-(1'-Isochromanyl-3-thiapropanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12O3S |
| InChI | InChI=1S/C11H12O3S/c12-10(13)7-15-11-9-4-2-1-3-8(9)5-6-14-11/h1-4,11H,5-7H2,(H,12,13) |
| InChIKey | CIKDYUVRCVVHBJ-UHFFFAOYSA-N |
| Molecular Weight | 224.274 g/mol |
| SMILES | OC(CSC1c2c(cccc2)CCO1)=O |
| SPLASH | splash10-001i-4900000000-f59bd9df9ceb6998b30d |
| Source of Spectrum | D8-328-183-7 |
| Wiley ID | 1515705 |