| SpectraBase Spectrum ID |
mVMTwCQW13 |
| Name |
1-Thianthrenecarboxaldehyde |
| Alternate Name(s) |
thianthrene-1-carbaldehyde |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H8OS2 |
| InChI |
InChI=1S/C13H8OS2/c14-8-9-4-3-7-12-13(9)16-11-6-2-1-5-10(11)15-12/h1-8H |
| InChIKey |
JAJDJVOWYBXNSC-UHFFFAOYSA-N |
| Molecular Weight |
244.326 g/mol |
| SMILES |
c12Sc3c(Sc2cccc1C=O)cccc3 |
| SPLASH |
splash10-0006-0090000000-9340dd7463e4fc37f2b1 |
| Source of Spectrum |
QE-2-1155-2 |
| Wiley ID |
842756 |
