| SpectraBase Spectrum ID |
76O3dR7ZPNS |
| Name |
4-(Benzyloxycarbonyl)-5-methyl-4',5'-dipentyltetrathiafulvalene |
| Alternate Name(s) |
benzyl 2-(4,5-dipentyl-2H-1,3-dithiol-2-ylidene)-5-methyl-2H-1,3-dithiole-4-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O2S4 |
| InChI |
InChI=1S/C25H32O2S4/c1-4-6-9-15-20-21(16-10-7-5-2)30-25(29-20)24-28-18(3)22(31-24)23(26)27-17-19-13-11-8-12-14-19/h8,11-14H,4-7,9-10,15-17H2,1-3H3 |
| InChIKey |
YGYPRYIYYRLDQU-UHFFFAOYSA-N |
| Molecular Weight |
492.769 g/mol |
| SMILES |
C=1(SC(=C2SC(CCCCC)=C(S2)CCCCC)SC1C)C(OCc1ccccc1)=O |
| SPLASH |
splash10-004i-0900400000-e53cac75f6f2bcc63209 |
| Source of Spectrum |
J-66-4522-8 |
| Wiley ID |
1535428 |
