| SpectraBase Spectrum ID |
JF1mYElrD9N |
| Name |
.beta.-D-Glucopyranose, 1-deoxy-1-nitro-4,6-o-(phenylmethylene)-, 2,3-diacetate, (R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.105981187 u |
| Formula |
C17H19NO9 |
| InChI |
InChI=1S/C17H19NO9/c1-9(19)24-14-13-12(26-16(18(21)22)15(14)25-10(2)20)8-23-17(27-13)11-6-4-3-5-7-11/h3-7,12-17H,8H2,1-2H3/t12-,13-,14+,15-,16-,17-/m1/s1 |
| InChIKey |
MXDLWBHBOTVWJQ-XJTKPRQNSA-N |
| Molecular Weight |
381.337 g/mol |
| SMILES |
[C@]1([C@@]([C@@](OC(=O)C)([C@]2([C@](O1)(CO[C@@](C1=CC=CC=C1)(O2)[H])[H])[H])[H])(OC(=O)C)[H])(N(=O)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935421 |
