| SpectraBase Spectrum ID |
4qqpJOZO6m0 |
| Name |
Tert-butyl (-)-(3S,5R)-3,5-(isopropylidenedioxy)heptanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-7-10-8-11(17-14(5,6)16-10)9-12(15)18-13(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11+/m1/s1 |
| InChIKey |
VVGMLAZGNPEIRZ-MNOVXSKESA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
CC1(C)O[C@](CC)(C[C@@](CC(OC(C)(C)C)=O)(O1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950037 |
