| SpectraBase Spectrum ID |
K7b78UplAct |
| Name |
cis-2,2-(Ethylenedioxy)cyclopentane-1,3-dimethanol diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.125988358 u |
| Formula |
C13H20O6 |
| InChI |
InChI=1S/C13H20O6/c1-9(14)16-7-11-3-4-12(8-17-10(2)15)13(11)18-5-6-19-13/h11-12H,3-8H2,1-2H3/t11-,12+ |
| InChIKey |
CEQSASSOONLSHV-TXEJJXNPSA-N |
| Molecular Weight |
272.297 g/mol |
| SMILES |
C12([C@](COC(=O)C)(CC[C@@]2(COC(=O)C)[H])[H])OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900471 |
