| SpectraBase Spectrum ID |
4axAyENbLFu |
| Name |
(2R,4S)-2-Butoxy-6-cyano-4-methyl-3,4-dihydro-2H-pyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.125928789 u |
| Formula |
C11H17NO2 |
| InChI |
InChI=1S/C11H17NO2/c1-3-4-5-13-11-7-9(2)6-10(8-12)14-11/h6,9,11H,3-5,7H2,1-2H3/t9-,11-/m1/s1 |
| InChIKey |
WVNHKHBBURWPQB-MWLCHTKSSA-N |
| Molecular Weight |
195.262 g/mol |
| SMILES |
C=1(O[C@@](OCCCC)(C[C@@](C1)(C)[H])[H])C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896995 |
