| SpectraBase Spectrum ID |
2bJ2ql2KSZA |
| Name |
1-[(Benzoyloxy)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.063388100 u |
| Formula |
C16H12O6 |
| InChI |
InChI=1S/C16H12O6/c17-13(9-4-2-1-3-5-9)20-8-16-7-6-10(22-16)11-12(16)15(19)21-14(11)18/h1-7,10-12H,8H2 |
| InChIKey |
XCVREVSUWOTDPK-UHFFFAOYSA-N |
| SMILES |
C12(C3C(OC(C3C(O1)C=C2)=O)=O)COC(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946949 |
![1-[(Benzoyloxy)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride](/api/spectrum/2bJ2ql2KSZA/structure.png?h=300&w=458 "1-[(Benzoyloxy)methyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic anhydride")
