| SpectraBase Spectrum ID |
JGjZgW3BQg3 |
| Name |
2-[4-(4-Methoxybenzylthio)phenylethynyl]-4-nitro-5-phenylethynylaniline |
| Alternate Name(s) |
2-({4-[(4-methoxybenzyl)sulfanyl]phenyl}ethynyl)-4-nitro-5-(phenylethynyl)aniline
2-({4-[(4-methoxybenzyl)sulfanyl]phenyl}ethynyl)-4-nitro-5-(phenylethynyl)phenylamine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H22N2O3S |
| InChI |
InChI=1S/C30H22N2O3S/c1-35-27-15-9-24(10-16-27)21-36-28-17-11-23(12-18-28)7-13-25-20-30(32(33)34)26(19-29(25)31)14-8-22-5-3-2-4-6-22/h2-6,9-12,15-20H,21,31H2,1H3 |
| InChIKey |
MSALXTAIMVBHJO-UHFFFAOYSA-N |
| Molecular Weight |
490.577 g/mol |
| SMILES |
Nc1c(cc(c(c1)C#Cc1ccccc1)N(=O)=O)C#Cc1ccc(cc1)SCc1ccc(cc1)OC |
| SPLASH |
splash10-00di-0900000000-5f6ec72db16138f828be |
| Source of Spectrum |
C5-2003-2094-15 |
| Wiley ID |
1615997 |
![2-[4-(4-Methoxybenzylthio)phenylethynyl]-4-nitro-5-phenylethynylaniline](/api/spectrum/JGjZgW3BQg3/structure.png?h=300&w=458 "2-[4-(4-Methoxybenzylthio)phenylethynyl]-4-nitro-5-phenylethynylaniline")
