| SpectraBase Spectrum ID |
bpCUrgnu0b |
| Name |
1,3-Benzodioxole-5-methanol, .alpha.-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-6-[2-(dimethylami no)ethyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
461.133065316 u |
| Formula |
C23H27NO5S2 |
| InChI |
InChI=1S/C23H27NO5S2/c1-24(2)7-6-15-10-19-21(29-14-27-19)12-17(15)22(25)23(30-8-3-9-31-23)16-4-5-18-20(11-16)28-13-26-18/h4-5,10-12,22,25H,3,6-9,13-14H2,1-2H3 |
| InChIKey |
RAFFYTALAMMOSB-UHFFFAOYSA-N |
| Molecular Weight |
461.591 g/mol |
| SMILES |
C1(C(C=2C=C3OCOC3=CC2CCN(C)C)O)(C=2C=C3OCOC3=CC2)SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958504 |
![1,3-Benzodioxole-5-methanol, .alpha.-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-6-[2-(dimethylami no)ethyl]-](/api/spectrum/bpCUrgnu0b/structure.png?h=300&w=458 "1,3-Benzodioxole-5-methanol, .alpha.-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-6-[2-(dimethylami no)ethyl]-")
