| SpectraBase Spectrum ID |
KZhKnQxcyOy |
| Name |
3-(Methoxycarbonyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.029979972 u |
| Formula |
C9H10O4S |
| InChI |
InChI=1S/C9H10O4S/c1-13-9(12)7-5-3-2-4(14-5)6(7)8(10)11/h2-7H,1H3,(H,10,11)/t4-,5+,6+,7+/m1/s1 |
| InChIKey |
CLFXEDUMUYDKOA-BWBBJGPYSA-N |
| Molecular Weight |
214.235 g/mol |
| SMILES |
C1=C[C@@]2(S[C@]1([C@@]([C@]2(C(OC)=O)[H])(C(O)=O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876789 |
![3-(Methoxycarbonyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-carboxylic acid](/api/spectrum/KZhKnQxcyOy/structure.png?h=300&w=458 "3-(Methoxycarbonyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-carboxylic acid")
