| SpectraBase Spectrum ID |
1eootuOdp1 |
| Name |
2,4-Benzofurandione, 6-[(acetyloxy)methyl]-3,3A,7,7A-tetrahydro-, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.068473481 u |
| Formula |
C11H12O5 |
| InChI |
InChI=1S/C11H12O5/c1-6(12)15-5-7-2-9(13)8-4-11(14)16-10(8)3-7/h2,8,10H,3-5H2,1H3/t8-,10+/m1/s1 |
| InChIKey |
SZSWVXWHICFMIC-SCZZXKLOSA-N |
| Molecular Weight |
224.212 g/mol |
| SMILES |
[C@@]12([C@@](OC(C2)=O)(CC(=CC1=O)COC(=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958116 |
![2,4-Benzofurandione, 6-[(acetyloxy)methyl]-3,3a,7,7a-tetrahydro-, cis-(.+-.)-](/api/spectrum/1eootuOdp1/structure.png?h=300&w=458 "2,4-Benzofurandione, 6-[(acetyloxy)methyl]-3,3a,7,7a-tetrahydro-, cis-(.+-.)-")
