| SpectraBase Spectrum ID |
61YwQCCsqSV |
| Name |
3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 4-methoxy-2-oxo-, methyl ester, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.052823417 u |
| Formula |
C8H10O5 |
| InChI |
InChI=1S/C8H10O5/c1-11-5-4-3-8(4,6(9)12-2)7(10)13-5/h4-5H,3H2,1-2H3/t4-,5+,8-/m1/s1 |
| InChIKey |
PHURYIOUHMBEFG-GLDDHUGJSA-N |
| Molecular Weight |
186.163 g/mol |
| SMILES |
[C@@]12([C@]([C@@](OC)(OC2=O)[H])([H])C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976346 |
![3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 4-methoxy-2-oxo-, methyl ester, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-](/api/spectrum/61YwQCCsqSV/structure.png?h=300&w=458 "3-Oxabicyclo[3.1.0]hexane-1-carboxylic acid, 4-methoxy-2-oxo-, methyl ester, (1.alpha.,4.alpha.,5.alpha.)-(.+-.)-")
