SpectraBase Spectrum ID |
HU3BN6PnyvS |
Name |
5-(L-Menthyloxy)-4-piperidino-3-(S)-chloro-2(5H)furanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
355.191421527 u |
Formula |
C19H30ClNO3 |
InChI |
InChI=1S/C19H30ClNO3/c1-12(2)14-8-7-13(3)11-15(14)23-19-17(16(20)18(22)24-19)21-9-5-4-6-10-21/h12-15,19H,4-11H2,1-3H3/t13-,14+,15-,19+/m1/s1 |
InChIKey |
OAJNTPARKJRUPX-GJRWTSMGSA-N |
Molecular Weight |
355.906 g/mol |
SMILES |
[C@]1(O[C@@]2(C(=C(C(O2)=O)Cl)N2CCCCC2)[H])(C[C@](C)(CC[C@]1(C(C)C)[H])[H])[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914502 |