| SpectraBase Spectrum ID |
LRMFAf9QH7z |
| Name |
2-Methoxymethyl-2,3-dihydrobenzo[B]thiophene-7-carboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.066365482 u |
| Formula |
C12H14O3S |
| InChI |
InChI=1S/C12H14O3S/c1-14-7-9-6-8-4-3-5-10(11(8)16-9)12(13)15-2/h3-5,9H,6-7H2,1-2H3 |
| InChIKey |
IGJYIMLYIIDRMW-UHFFFAOYSA-N |
| Molecular Weight |
238.301 g/mol |
| SMILES |
C12=CC=CC(=C2SC(C1)COC)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88357 |
![2-Methoxymethyl-2,3-dihydrobenzo[B]thiophene-7-carboxylic acid, methyl ester](/api/spectrum/LRMFAf9QH7z/structure.png?h=300&w=458 "2-Methoxymethyl-2,3-dihydrobenzo[B]thiophene-7-carboxylic acid, methyl ester")
