| SpectraBase Spectrum ID |
i7cAM3T9Mf |
| Name |
(2R,3R,4S)-(E)-4-[N-(Tert-butoxycarbonyl)amino]-6-methyl-1-(benzyloxy)-2,3-epoxyheptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.225308478 u |
| Formula |
C20H31NO4 |
| InChI |
InChI=1S/C20H31NO4/c1-14(2)11-16(21-19(22)25-20(3,4)5)18-17(24-18)13-23-12-15-9-7-6-8-10-15/h6-10,14,16-18H,11-13H2,1-5H3,(H,21,22)/t16-,17+,18+/m0/s1 |
| InChIKey |
LOIOFXKRROOTEW-RCCFBDPRSA-N |
| Molecular Weight |
349.471 g/mol |
| SMILES |
[C@]1(O[C@@]1(COCC=1C=CC=CC1)[H])([C@@](NC(OC(C)(C)C)=O)(CC(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955493 |
![(2R,3R,4S)-(E)-4-[N-(Tert-butoxycarbonyl)amino]-6-methyl-1-(benzyloxy)-2,3-epoxyheptane](/api/spectrum/i7cAM3T9Mf/structure.png?h=300&w=458 "(2R,3R,4S)-(E)-4-[N-(Tert-butoxycarbonyl)amino]-6-methyl-1-(benzyloxy)-2,3-epoxyheptane")
