| SpectraBase Spectrum ID |
DuyHh0mD6md |
| Name |
(E,2R,5R)-5-Benzamido-2-methyl-3-hexenoic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.152143537 u |
| Formula |
C16H21NO3 |
| InChI |
InChI=1S/C16H21NO3/c1-4-20-16(19)12(2)10-11-13(3)17-15(18)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3,(H,17,18)/b11-10+/t12-,13-/m1/s1 |
| InChIKey |
QYFSALUEJBXDNP-HRFIDBLHSA-N |
| Molecular Weight |
275.348 g/mol |
| SMILES |
C(N[C@@](\C=C\[C@](C(=O)OCC)(C)[H])(C)[H])(=O)C=1C=CC=CC1 |
