| SpectraBase Spectrum ID |
8wuKwmeqlXw |
| Name |
1,3-Pentalenedicarboxylic acid, octahydro-5,5-dimethoxy-1,3-dimethyl-2-oxo-, dimethyl ester, (1.alpha.,3.alpha.,3A.beta.,6A.beta.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.152203106 u |
| Formula |
C16H24O7 |
| InChI |
InChI=1S/C16H24O7/c1-14(12(18)20-3)9-7-16(22-5,23-6)8-10(9)15(2,11(14)17)13(19)21-4/h9-10H,7-8H2,1-6H3/t9-,10+,14-,15+ |
| InChIKey |
MXFCXTDLLYKSCN-LMHVJCSRSA-N |
| Molecular Weight |
328.361 g/mol |
| SMILES |
[C@@]1(C([C@@](C(=O)OC)(C)[C@]2([C@@]1(CC(OC)(OC)C2)[H])[H])=O)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922178 |
