| SpectraBase Spectrum ID |
JrtL81cRE1G |
| Name |
(2R,4S)-6-Cyano-4-methyl-2-(diethoxymethyl)-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 |
225.136493473 u |
| Formula |
C12H19NO3 |
| InChI |
InChI=1S/C12H19NO3/c1-4-14-12(15-5-2)11-7-9(3)6-10(8-13)16-11/h6,9,11-12H,4-5,7H2,1-3H3/t9-,11-/m1/s1 |
| InChIKey |
NWSIDMZPXBBLDZ-MWLCHTKSSA-N |
| Molecular Weight |
225.288 g/mol |
| SMILES |
C=1(O[C@](C[C@@](C1)(C)[H])(C(OCC)OCC)[H])C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95831 |
