| SpectraBase Spectrum ID |
KvqLUoDYSxX |
| Name |
dl-Xylo-hexonic acid, 4,5-anhydro-2,3,6-trideoxy-3-(dimethylamino)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
187.120843408 u |
| Formula |
C9H17NO3 |
| InChI |
InChI=1S/C9H17NO3/c1-6-9(13-6)7(10(2)3)5-8(11)12-4/h6-7,9H,5H2,1-4H3 |
| InChIKey |
MPIPEYCKNLQVNB-UHFFFAOYSA-N |
| Molecular Weight |
187.239 g/mol |
| SMILES |
C1(OC1C)C(CC(=O)OC)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810655 |
