SpectraBase Spectrum ID |
G0OTozVdqJF |
Name |
Perazine-m (aminopropyl-ho-) 2ac @P1242 |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
356.119463683 u |
Formula |
C19H20N2O3S |
InChI |
InChI=1S/C19H20N2O3S/c1-13(22)20-10-5-11-21-16-6-3-4-7-18(16)25-19-9-8-15(12-17(19)21)24-14(2)23/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,20,22) |
InChIKey |
OXLRHBJWBYEMPE-UHFFFAOYSA-N |
Molecular Weight |
356.440 g/mol |
SMILES |
C1=CC=C2N(CCCNC(=O)C)C3=C(C=CC(OC(C)=O)=C3)SC2=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909279 |