| SpectraBase Spectrum ID |
8VApdP3gb2d |
| Name |
1,3-Dioxepane-5-carboxaldehyde, 2-(methoxymethyl)-4,4,7,7-tetramethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.151809184 u |
| Formula |
C12H22O4 |
| InChI |
InChI=1S/C12H22O4/c1-11(2)6-9(7-13)12(3,4)16-10(15-11)8-14-5/h7,9-10H,6,8H2,1-5H3 |
| InChIKey |
UWTSCLWSKPPBBE-UHFFFAOYSA-N |
| Molecular Weight |
230.304 g/mol |
| SMILES |
C1C(C(OC(OC1(C)C)COC)(C)C)C=O |
| Spectrum/Structure Validation Score (Raman) |
0.982953 |
