| SpectraBase Spectrum ID |
BG9hhyIQjId |
| Name |
(5S)-N-(Tert.-butoxycarbonyl)-(4R)-(3'-phenylpropyl)-tetrahydropyran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.194008349 u |
| Formula |
C19H27NO4 |
| InChI |
InChI=1S/C19H27NO4/c1-19(2,3)24-18(22)20-16-13-23-17(21)12-15(16)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3,(H,20,22)/t15-,16-/m1/s1 |
| InChIKey |
ZAWYFYSMAZLUIT-HZPDHXFCSA-N |
| Molecular Weight |
333.428 g/mol |
| SMILES |
C1(=O)C[C@@](CCCC2=CC=CC=C2)([C@@](CO1)(NC(=O)OC(C)(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918062 |
