| SpectraBase Spectrum ID |
JwMWsnul0EJ |
| Name |
N-[2-[4-[[(1S,2S)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamic acid prop-2-ynyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.178358285 u |
| Formula |
C19H25NO4 |
| InChI |
InChI=1S/C19H25NO4/c1-2-12-24-19(22)20-11-13-23-17-9-7-15(8-10-17)14-16-5-3-4-6-18(16)21/h1,7-10,16,18,21H,3-6,11-14H2,(H,20,22)/t16-,18-/m0/s1 |
| InChIKey |
KSXLDJPOFWYJDZ-WMZOPIPTSA-N |
| Molecular Weight |
331.412 g/mol |
| SMILES |
C(=O)(NCCOC1=CC=C(C[C@]2([C@@](O)(CCCC2)[H])[H])C=C1)OCC#C |
![N-[2-[4-[[(1S,2S)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamic acid prop-2-ynyl ester](/api/spectrum/JwMWsnul0EJ/structure.png?h=300&w=458 "N-[2-[4-[[(1S,2S)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamic acid prop-2-ynyl ester")
