| SpectraBase Spectrum ID |
HLTXGehkNCH |
| Name |
2-(Hexadecylsulfanyl)-3-(pentylsulfanyl)-1,4-naphthoquinone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H48O2S2 |
| InChI |
InChI=1S/C31H48O2S2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-35-31-29(33)27-23-19-18-22-26(27)28(32)30(31)34-24-20-6-4-2/h18-19,22-23H,3-17,20-21,24-25H2,1-2H3 |
| InChIKey |
AYGCUJYMNNGSIB-UHFFFAOYSA-N |
| Molecular Weight |
516.843 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)cccc2)SCCCCC)SCCCCCCCCCCCCCCCC |
| SPLASH |
splash10-014i-0000090000-6c6e82906f76fe73710a |
| Source of Spectrum |
O1-46-214-6d |
| Wiley ID |
1669204 |
