| SpectraBase Spectrum ID |
94qNuHCrAcv |
| Name |
5-Iodo-6-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2,6-lactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.954553766 u |
| Formula |
C9H9IO4 |
| InChI |
InChI=1S/C9H9IO4/c10-6-2-1-3-5(4(2)8(11)12)9(13)14-7(3)6/h2-7H,1H2,(H,11,12)/t2-,3+,4+,5+,6-,7-/m0/s1 |
| InChIKey |
NHGLFZIQXAGSGN-DRYVTRLFSA-N |
| Molecular Weight |
308.071 g/mol |
| SMILES |
[C@@]12([C@@](I)([C@@]3([C@]([C@@]([C@]2(C3)[H])(C(O1)=O)[H])(C(O)=O)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941497 |
![5-Iodo-6-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2,6-lactone](/api/spectrum/94qNuHCrAcv/structure.png?h=300&w=458 "5-Iodo-6-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2,6-lactone")
