| SpectraBase Spectrum ID |
74tr84yisAY |
| Name |
2H-Pyran-2-acetonitrile, tetrahydro-.alpha.-methyl-, (R*,R*)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
139.099714042 u |
| Formula |
C8H13NO |
| InChI |
InChI=1S/C8H13NO/c1-7(6-9)8-4-2-3-5-10-8/h7-8H,2-5H2,1H3/t7-,8-/m1/s1 |
| InChIKey |
BDIHDNOMSMMYTL-HTQZYQBOSA-N |
| Molecular Weight |
139.198 g/mol |
| SMILES |
C(#N)[C@]([C@@]1(OCCCC1)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929692 |
