| SpectraBase Spectrum ID |
DeLph1qrytu |
| Name |
Cyclopenta[C]pyran-3,5-dicarboxylic acid, 6-(acetyloxy)-4-bromooctahydro-1-oxo-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.010680499 u |
| Formula |
C14H17BrO8 |
| InChI |
InChI=1S/C14H17BrO8/c1-5(16)22-7-4-6-8(9(7)13(18)20-2)10(15)11(14(19)21-3)23-12(6)17/h6-11H,4H2,1-3H3 |
| InChIKey |
SBVWAVZFFJVMHJ-UHFFFAOYSA-N |
| Molecular Weight |
393.186 g/mol |
| SMILES |
C1(OC(=O)C2C(C1Br)C(C(OC(=O)C)C2)C(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981546 |
![Cyclopenta[c]pyran-3,5-dicarboxylic acid, 6-(acetyloxy)-4-bromooctahydro-1-oxo-, dimethyl ester](/api/spectrum/DeLph1qrytu/structure.png?h=300&w=458 "Cyclopenta[c]pyran-3,5-dicarboxylic acid, 6-(acetyloxy)-4-bromooctahydro-1-oxo-, dimethyl ester")
