| SpectraBase Spectrum ID |
7VpronPh5TW |
| Name |
N-(1-Deoxy-2,3:4,6-di-o-isopropylidene-.alpha.,L-xylo-hex-2-ul-1-ylidene)benzylamine N-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.168187523 u |
| Formula |
C19H25NO6 |
| InChI |
InChI=1S/C19H25NO6/c1-17(2)22-11-14-15(24-17)16-19(23-14,26-18(3,4)25-16)12-20(21)10-13-8-6-5-7-9-13/h5-9,12,14-16H,10-11H2,1-4H3/b20-12-/t14-,15+,16-,19-/m0/s1 |
| InChIKey |
XNSBBKGMTRTZDQ-BGWVVJMGSA-N |
| Molecular Weight |
363.410 g/mol |
| SMILES |
[C@]12([C@]([C@@]3(OC(C)(C)OC[C@@]3(O2)[H])[H])(OC(O1)(C)C)[H])\C=[N+]\([O-])CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931256 |
