| SpectraBase Spectrum ID |
759zwwkT3rl |
| Name |
3-Heptanone, 4-methyl-6-oxiranyl-, [2R*(4S*,6R*)]-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.130679818 u |
| Formula |
C10H18O2 |
| InChI |
InChI=1S/C10H18O2/c1-4-9(11)7(2)5-8(3)10-6-12-10/h7-8,10H,4-6H2,1-3H3/t7-,8+,10-/m0/s1 |
| InChIKey |
LQHJAQYQAYERCP-XKSSXDPKSA-N |
| Molecular Weight |
170.252 g/mol |
| SMILES |
[C@]1(OC1)([C@@](C[C@@](C(=O)CC)(C)[H])(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959484 |
![3-Heptanone, 4-methyl-6-oxiranyl-, [2R*(4S*,6R*)]-(.+-.)-](/api/spectrum/759zwwkT3rl/structure.png?h=300&w=458 "3-Heptanone, 4-methyl-6-oxiranyl-, [2R*(4S*,6R*)]-(.+-.)-")
