| SpectraBase Spectrum ID |
Bv8oaKwOKU |
| Name |
(3as,4S,6as)-4-(Benzenesulfonyl)-6-oxo-1,3A,4,6A-tetrahydrofuro[3,4-C]pyrazole-3-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.057257347 u |
| Formula |
C14H14N2O6S |
| InChI |
InChI=1S/C14H14N2O6S/c1-2-21-12(17)10-9-11(16-15-10)13(18)22-14(9)23(19,20)8-6-4-3-5-7-8/h3-7,9,11,14,16H,2H2,1H3/t9-,11+,14+/m1/s1 |
| InChIKey |
LJRMLEGUOCRZQL-PUYPPJJSSA-N |
| Molecular Weight |
338.334 g/mol |
| SMILES |
[C@@]12([C@](S(=O)(=O)C3=CC=CC=C3)(OC([C@]1(NN=C2C(=O)OCC)[H])=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846924 |
![(3aS,4S,6aS)-4-(benzenesulfonyl)-6-oxo-1,3a,4,6a-tetrahydrofuro[3,4-c]pyrazole-3-carboxylic acid ethyl ester](/api/spectrum/Bv8oaKwOKU/structure.png?h=300&w=458 "(3aS,4S,6aS)-4-(benzenesulfonyl)-6-oxo-1,3a,4,6a-tetrahydrofuro[3,4-c]pyrazole-3-carboxylic acid ethyl ester")
