| SpectraBase Spectrum ID |
HKgzK9WxNHz |
| Name |
1-Amino-2,4-di(1-methylpropylthio)naphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.142842157 u |
| Formula |
C18H25NS2 |
| InChI |
InChI=1S/C18H25NS2/c1-5-12(3)20-16-11-17(21-13(4)6-2)18(19)15-10-8-7-9-14(15)16/h7-13H,5-6,19H2,1-4H3 |
| InChIKey |
BBVOOOKBTHWPCS-UHFFFAOYSA-N |
| Molecular Weight |
319.525 g/mol |
| SMILES |
C=1(C(=C2C=CC=CC2=C(C1)SC(CC)C)N)SC(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909017 |
