| SpectraBase Spectrum ID |
DAkf5U6iwK1 |
| Name |
Benzeneacetonitrile, .alpha.-(.beta.-D-glucopyranosyloxy)-, (R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.105587265 u |
| Formula |
C14H17NO6 |
| InChI |
InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13+,14+/m0/s1 |
| InChIKey |
ZKSZEJFBGODIJW-QEHJDLSMSA-N |
| Molecular Weight |
295.291 g/mol |
| SMILES |
C1=C(C=CC=C1)[C@@](O[C@]1([C@](O)([C@@]([C@]([C@@](O1)(CO)[H])(O)[H])(O)[H])[H])[H])(C#N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852288 |
