| SpectraBase Spectrum ID |
D9fMClYCTwB |
| Name |
(4S)-7-(4-Methoxyphenoxy)-4-methyl-3-heptanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.156894565 u |
| Formula |
C15H22O3 |
| InChI |
InChI=1S/C15H22O3/c1-4-15(16)12(2)6-5-11-18-14-9-7-13(17-3)8-10-14/h7-10,12H,4-6,11H2,1-3H3/t12-/m0/s1 |
| InChIKey |
CVAVAUHZFACPLY-LBPRGKRZSA-N |
| Molecular Weight |
250.338 g/mol |
| SMILES |
C(=O)([C@](CCCOC=1C=CC(=CC1)OC)(C)[H])CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902892 |
