| SpectraBase Spectrum ID |
2xjiPEjcbj9 |
| Name |
Endomethylene methyltetrahydrophthalic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.062994179 u |
| Formula |
C10H10O3 |
| InChI |
InChI=1S/C10H10O3/c1-4-5-2-3-6(4)8-7(5)9(11)13-10(8)12/h2-8H,1H3/t4?,5-,6+,7-,8+ |
| InChIKey |
SBKPSHZVULRXED-UPGAHCIJSA-N |
| Molecular Weight |
178.187 g/mol |
| SMILES |
[C@@]12([C@]3(C=C[C@@]([C@]1(C(OC2=O)=O)[H])(C3C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.913033 |
