| SpectraBase Spectrum ID |
14WXNhjFi2k |
| Name |
(-)-(1S,2S,3R)-methyl 2-allyl-3-cyano-2-methylcyclopentanecarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.125928789 u |
| Formula |
C12H17NO2 |
| InChI |
InChI=1S/C12H17NO2/c1-4-7-12(2)9(8-13)5-6-10(12)11(14)15-3/h4,9-10H,1,5-7H2,2-3H3/t9-,10+,12-/m0/s1 |
| InChIKey |
BIMFXTVBFCKGRY-UMNHJUIQSA-N |
| Molecular Weight |
207.273 g/mol |
| SMILES |
[C@@]1(CC=C)(C)[C@@](C(OC)=O)(CC[C@]1(C#N)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822479 |
