| SpectraBase Spectrum ID |
8zXMzAa3GKR |
| Name |
2-Heptanone, 7,7-dimethoxy-5-(1-methylethyl)-, (R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.172544630 u |
| Formula |
C12H24O3 |
| InChI |
InChI=1S/C12H24O3/c1-9(2)11(7-6-10(3)13)8-12(14-4)15-5/h9,11-12H,6-8H2,1-5H3/t11-/m1/s1 |
| InChIKey |
ZVUOYGFOXXOSAJ-LLVKDONJSA-N |
| Molecular Weight |
216.321 g/mol |
| SMILES |
[C@@](CC(OC)OC)(CCC(=O)C)(C(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833202 |
