| SpectraBase Spectrum ID |
LaGUIWrS4Q |
| Name |
5(S*)-Chloro-5(S*)-methyl-3(S*)-nitro-2(R*)-phenyltetrahydropyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.066221012 u |
| Formula |
C12H14ClNO3 |
| InChI |
InChI=1S/C12H14ClNO3/c1-12(13)7-10(14(15)16)11(17-8-12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+,12-/m0/s1 |
| InChIKey |
VQMKRJRCAYMNJC-TUAOUCFPSA-N |
| Molecular Weight |
255.701 g/mol |
| SMILES |
[C@]1(N(=O)=O)([C@](OC[C@](C1)(Cl)C)(C1=CC=CC=C1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838935 |
