![(6S,7S,8S)-6-[[(benzyloxy)carbonyl]amino]-7,8-bis[(methoxymethyl)oxy]non-1-ene](/api/spectrum/IlWun8wViIN/structure.png?h=300&w=458 "(6S,7S,8S)-6-[[(benzyloxy)carbonyl]amino]-7,8-bis[(methoxymethyl)oxy]non-1-ene")
| SpectraBase Compound ID | 876eTWYlFBx |
|---|---|
| InChI | InChI=1S/C21H33NO6/c1-5-6-8-13-19(20(28-16-25-4)17(2)27-15-24-3)22-21(23)26-14-18-11-9-7-10-12-18/h5,7,9-12,17,19-20H,1,6,8,13-16H2,2-4H3,(H,22,23)/t17-,19-,20+/m0/s1 |
| InChIKey | AJJQNPAMSOFQCS-YSIASYRMSA-N |
| Mol Weight | 395.5 g/mol |
| Molecular Formula | C21H33NO6 |
| Exact Mass | 395.230788 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IlWun8wViIN |
|---|---|
| Name | (6S,7S,8S)-6-[[(benzyloxy)carbonyl]amino]-7,8-bis[(methoxymethyl)oxy]non-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.230787781 u |
| Formula | C21H33NO6 |
| InChI | InChI=1S/C21H33NO6/c1-5-6-8-13-19(20(28-16-25-4)17(2)27-15-24-3)22-21(23)26-14-18-11-9-7-10-12-18/h5,7,9-12,17,19-20H,1,6,8,13-16H2,2-4H3,(H,22,23)/t17-,19-,20+/m0/s1 |
| InChIKey | AJJQNPAMSOFQCS-YSIASYRMSA-N |
| Molecular Weight | 395.496 g/mol |
| SMILES | C(N[C@]([C@@]([C@@](OCOC)(C)[H])(OCOC)[H])(CCCC=C)[H])(=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849283 |