| SpectraBase Spectrum ID |
AENLVPdNfu3 |
| Name |
1,3-Benzodioxole-4-methanamine, N-[2-[tetrahydro-2,2-dimethyl-4-(1-methylethyl)-2H-pyran-4-yl]ethyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.230393859 u |
| Formula |
C20H31NO3 |
| InChI |
InChI=1S/C20H31NO3/c1-15(2)20(9-11-24-19(3,4)13-20)8-10-21-12-16-6-5-7-17-18(16)23-14-22-17/h5-7,15,21H,8-14H2,1-4H3 |
| InChIKey |
VUVAWWRENAFGRX-UHFFFAOYSA-N |
| Molecular Weight |
333.472 g/mol |
| SMILES |
C(CNCC1=CC=CC2=C1OCO2)C1(CCOC(C)(C)C1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930924 |
![1,3-Benzodioxole-4-methanamine, N-[2-[tetrahydro-2,2-dimethyl-4-(1-methylethyl)-2H-pyran-4-yl]ethyl]-](/api/spectrum/AENLVPdNfu3/structure.png?h=300&w=458 "1,3-Benzodioxole-4-methanamine, N-[2-[tetrahydro-2,2-dimethyl-4-(1-methylethyl)-2H-pyran-4-yl]ethyl]-")
