| SpectraBase Spectrum ID |
3Di1CmZZgww |
| Name |
Acetic acid, 2,7-dioxatricyclo[4.3.1.0 3,8]dec-5-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.104858991 u |
| Formula |
C10H16O4 |
| InChI |
InChI=1S/C10H16O4/c1-7(11)14-9-3-5-12-8-2-4-13-10(9)6-8/h8-10H,2-6H2,1H3/t8-,9?,10+/m0/s1 |
| InChIKey |
NGNQPEQMENCMGH-DJBFQZMMSA-N |
| Molecular Weight |
200.234 g/mol |
| Nominal Mass |
200 u |
| SMILES |
C1(CCO[C@]2(CCO[C@@]1(C2)[H])[H])OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933832 |
![Acetic acid, 2,7-dioxatricyclo[4.3.1.0 3,8]dec-5-yl ester](/api/spectrum/3Di1CmZZgww/structure.png?h=300&w=458 "Acetic acid, 2,7-dioxatricyclo[4.3.1.0 3,8]dec-5-yl ester")
