| SpectraBase Spectrum ID |
KHqkQBnglYN |
| Name |
(2S,4S)-1,2-Dimethoxy-5,5-dimethylhept-6-en-4-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
202.156894565 u |
| Formula |
C11H22O3 |
| InChI |
InChI=1S/C11H22O3/c1-6-11(2,3)10(12)7-9(14-5)8-13-4/h6,9-10,12H,1,7-8H2,2-5H3/t9-,10-/m0/s1 |
| InChIKey |
MZRLRFKKSSFQHM-UWVGGRQHSA-N |
| Molecular Weight |
202.294 g/mol |
| SMILES |
C([C@](C[C@](OC)(COC)[H])(O)[H])(C=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9405 |
