| SpectraBase Spectrum ID |
6YWu9Q77Dgz |
| Name |
Venlafaxine-m (ho-) isomer-1 ac P1128 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.209658414 u |
| Formula |
C19H29NO4 |
| InChI |
InChI=1S/C19H29NO4/c1-14(21)24-17-9-11-19(22,12-10-17)18(13-20(2)3)15-5-7-16(23-4)8-6-15/h5-8,17-18,22H,9-13H2,1-4H3 |
| InChIKey |
SWNGYHPTWDFDMU-UHFFFAOYSA-N |
| Molecular Weight |
335.444 g/mol |
| SMILES |
C(C1(CCC(OC(=O)C)CC1)O)(C1=CC=C(C=C1)OC)CN(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870185 |
