| SpectraBase Spectrum ID |
AlHnoj45pPs |
| Name |
Bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid, 5-chloro-6-iodo-, dimethyl ester, (5R,6R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.946881562 u |
| Formula |
C11H12ClIO4 |
| InChI |
InChI=1S/C11H12ClIO4/c1-16-10(14)6-4-3-5(9(13)8(4)12)7(6)11(15)17-2/h4-5,8-9H,3H2,1-2H3/t4-,5+,8+,9+/m1/s1 |
| InChIKey |
RHDZZDNZLRHJJW-QLKUOXBQSA-N |
| Molecular Weight |
370.570 g/mol |
| SMILES |
[C@@]12(C[C@@](C(=C2C(=O)OC)C(=O)OC)([C@@]([C@]1(Cl)[H])(I)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927701 |
![Bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid, 5-chloro-6-iodo-, dimethyl ester, (5R,6R)-](/api/spectrum/AlHnoj45pPs/structure.png?h=300&w=458 "Bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid, 5-chloro-6-iodo-, dimethyl ester, (5R,6R)-")
