| SpectraBase Spectrum ID |
4sMBukY3zuJ |
| Name |
1,5-bis[[4-(1,1-dimethylpentyl)phenyl]sulfanyl]-2,4-dinitro-benzene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H40N2O4S2 |
| InChI |
InChI=1S/C32H40N2O4S2/c1-7-9-19-31(3,4)23-11-15-25(16-12-23)39-29-22-30(28(34(37)38)21-27(29)33(35)36)40-26-17-13-24(14-18-26)32(5,6)20-10-8-2/h11-18,21-22H,7-10,19-20H2,1-6H3 |
| InChIKey |
KBKPNVFBJVPZQL-UHFFFAOYSA-N |
| Molecular Weight |
580.802 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)c(cc1Sc1ccc(C(CCCC)(C)C)cc1)Sc1ccc(C(CCCC)(C)C)cc1 |
| SPLASH |
splash10-00di-0000090000-8ad17e781d851c447367 |
| Source of Spectrum |
J-59-2747-13 |
| Synonyms |
1,5-bis[[4-(1,1-dimethylpentyl)phenyl]thio]-2,4-dinitro-benzene
1,5-bis[[4-(2-methylhexan-2-yl)phenyl]sulfanyl]-2,4-dinitro-benzene
1,5-bis[[4-(2-methylhexan-2-yl)phenyl]thio]-2,4-dinitrobenzene |
| Wiley ID |
1408506 |
![1,5-bis[[4-(1,1-dimethylpentyl)phenyl]sulfanyl]-2,4-dinitro-benzene](/api/spectrum/4sMBukY3zuJ/structure.png?h=300&w=458 "1,5-bis[[4-(1,1-dimethylpentyl)phenyl]sulfanyl]-2,4-dinitro-benzene")
