| SpectraBase Spectrum ID |
54SQZtioXOB |
| Name |
5-[(1R,2R)-2-(1,3-Benzodioxol-5-yl)-1,2-dimethoxy-ethyl]-1,3-benzodioxole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.110338294 u |
| Formula |
C18H18O6 |
| InChI |
InChI=1S/C18H18O6/c1-19-17(11-3-5-13-15(7-11)23-9-21-13)18(20-2)12-4-6-14-16(8-12)24-10-22-14/h3-8,17-18H,9-10H2,1-2H3/t17-,18-/m1/s1 |
| InChIKey |
VMYDBTHTCJVDQP-QZTJIDSGSA-N |
| Molecular Weight |
330.336 g/mol |
| SMILES |
C=1([C@]([C@@](C=2C=C3OCOC3=CC2)(OC)[H])(OC)[H])C=C2OCOC2=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92853 |
![5-[(1R,2R)-2-(1,3-benzodioxol-5-yl)-1,2-dimethoxy-ethyl]-1,3-benzodioxole](/api/spectrum/54SQZtioXOB/structure.png?h=300&w=458 "5-[(1R,2R)-2-(1,3-benzodioxol-5-yl)-1,2-dimethoxy-ethyl]-1,3-benzodioxole")
