| SpectraBase Spectrum ID |
IaajcbqOzvb |
| Name |
Phenyl 4-[bis(ethoxycarbonyl)but-3-ynyl]-2,3,4-trideoxy-.alpha.,L-glcero-pent-2-enopyranoside |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.172938551 u |
| Formula |
C21H26O6 |
| InChI |
InChI=1S/C21H26O6/c1-4-14-21(19(22)24-5-2,20(23)25-6-3)16-12-13-18(26-15-16)27-17-10-8-7-9-11-17/h4,7-13,16,18H,1,5-6,14-15H2,2-3H3 |
| InChIKey |
GFNGOOUVSNJXET-UHFFFAOYSA-N |
| Molecular Weight |
374.433 g/mol |
| SMILES |
C(C(=O)OCC)(C(=O)OCC)(C1C=CC(OC1)OC1=CC=CC=C1)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914559 |
![Phenyl 4-[bis(ethoxycarbonyl)but-3-ynyl]-2,3,4-trideoxy-.alpha.,L-glcero-pent-2-enopyranoside](/api/spectrum/IaajcbqOzvb/structure.png?h=300&w=458 "Phenyl 4-[bis(ethoxycarbonyl)but-3-ynyl]-2,3,4-trideoxy-.alpha.,L-glcero-pent-2-enopyranoside")
