| SpectraBase Spectrum ID |
CcncVkQqkp8 |
| Name |
Methyl (2.beta.-acetyl-3.alpha.-formyl-5-.alpha.-formyl)cyclopentyl-.beta.thiocarboxylate |
| Alternate Name(s) |
S-methyl (1R,2S,3R,5S)-2-acetyl-3,5-diformylcyclopentanecarbothioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14O4S |
| InChI |
InChI=1S/C11H14O4S/c1-6(14)9-7(4-12)3-8(5-13)10(9)11(15)16-2/h4-5,7-10H,3H2,1-2H3/t7-,8+,9-,10+/m0/s1 |
| InChIKey |
IMQUFBKTACZWRU-QCLAVDOMSA-N |
| Molecular Weight |
242.289 g/mol |
| SMILES |
[C@@]1([C@](C[C@]([C@@]1(C(=O)C)[H])(C=O)[H])(C=O)[H])(C(=O)SC)[H] |
| SPLASH |
splash10-0002-0900000000-869ca62cea211d5fb6cc |
| Source of Spectrum |
QA-43-184-10 |
| Wiley ID |
862222 |
