| SpectraBase Spectrum ID |
Bz4vrNX8qDf |
| Name |
1-Piperidinepropionic acid, .alpha.-(1,3-dihydroxy-2-butenylidene)-, .delta.-lactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.120843408 u |
| Formula |
C12H17NO3 |
| InChI |
InChI=1S/C12H17NO3/c1-9-7-11(14)10(12(15)16-9)8-13-5-3-2-4-6-13/h7,14H,2-6,8H2,1H3 |
| InChIKey |
YDXAMBJEFNCGKT-UHFFFAOYSA-N |
| Molecular Weight |
223.272 g/mol |
| SMILES |
C=1(C(OC(=CC1O)C)=O)CN1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831288 |
