| SpectraBase Spectrum ID |
3NPZe0CBNMK |
| Name |
(+)-(3R,1'S,2'S)-N-(1'-Hydroxy-1'-phenylpropan-2'-yl)-3-(furan-2-yl)-N-methylbutanamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.167793602 u |
| Formula |
C18H23NO3 |
| InChI |
InChI=1S/C18H23NO3/c1-13(16-10-7-11-22-16)12-17(20)19(3)14(2)18(21)15-8-5-4-6-9-15/h4-11,13-14,18,21H,12H2,1-3H3/t13-,14+,18-/m1/s1 |
| InChIKey |
PYJZJVPRWKXZSL-QWQRMKEZSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jo302438k |
| Optical Rotation |
[a]D20 = +71.3 (c = 0.92, CH2Cl2) |
| Quality |
200 |
| Reported Formula |
C18H23NO3 |
| SMILES |
O[C@]([C@@](N(C(C[C@@](C)(C1=CC=CO1)[H])=O)C)(C)[H])(C1=CC=CC=C1)[H] |
| SPLASH |
splash10-00dj-9200000000-39dccf05be3d9e940610 |
| Sample Comments |
dr = 96:4 |
| Source of Spectrum |
JOC-78-620-5a (DOI: 10.1021/jo302438k) |
| Wiley ID |
1911692 |
