SpectraBase Spectrum ID |
2dF0vnvrV2 |
Name |
2,9-Dibutyl-3-chloro-8-(4-methoxyphenyl)naphtho[1,2-b:8,7-b']-dithiophene |
Appearance |
White solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
492.134835601 u |
Formula |
C29H29ClOS2 |
InChI |
InChI=1S/C29H29ClOS2/c1-4-6-8-23-25(18-10-14-20(31-3)15-11-18)21-16-12-19-13-17-22-27(30)24(9-7-5-2)33-29(22)26(19)28(21)32-23/h10-17H,4-9H2,1-3H3 |
InChIKey |
RLUCWAXMCMKRJQ-UHFFFAOYSA-N |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/jo400205j |
Molecular Weight |
493.123 g/mol |
SMILES |
C=12C(C(=C(S2)CCCC)Cl)=CC=C2C=CC3=C(SC(=C3C=3C=CC(=CC3)OC)CCCC)C12 |
SPLASH |
splash10-0007-0000900000-1344007d4cd391292a1f |
Source of Spectrum |
JOC-78-3500-mono-17 (DOI: 10.1021/jo400205j) |
Wiley ID |
1912508 |