| SpectraBase Spectrum ID |
7SHcnnhwDPA |
| Name |
(S)-(+)-1-cyano-1-(3,4-methylenedioxyphenyl)methyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.053157770 u |
| Formula |
C11H9NO4 |
| InChI |
InChI=1S/C11H9NO4/c1-7(13)16-11(5-12)8-2-3-9-10(4-8)15-6-14-9/h2-4,11H,6H2,1H3/t11-/m1/s1 |
| InChIKey |
QLJQZNQAUINIDB-LLVKDONJSA-N |
| Molecular Weight |
219.196 g/mol |
| SMILES |
C(#N)[C@](C=1C=C2OCOC2=CC1)(OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92728 |
