| SpectraBase Spectrum ID |
LLLFwDZJIRr |
| Name |
2-(benzenesulfinyl)-4-methyl-penta-2,3-dienoic acid methyl ester |
| Alternate Name(s) |
methyl 2-(benzenesulfinyl)-4-methyl-penta-2,3-dienoate
methyl 4-methyl-2-(phenylsulfinyl)penta-2,3-dienoate
2-(benzenesulfinyl)-4-methylpenta-2,3-dienoic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O3S |
| InChI |
InChI=1S/C13H14O3S/c1-10(2)9-12(13(14)16-3)17(15)11-7-5-4-6-8-11/h4-8H,1-3H3 |
| InChIKey |
BXKCAIQUGLTGCQ-UHFFFAOYSA-N |
| Molecular Weight |
250.312 g/mol |
| SMILES |
C(C(=C=C(C)C)S(=O)c1ccccc1)(=O)OC |
| SPLASH |
splash10-004i-0920000000-d717209795e89f6be634 |
| Source of Spectrum |
SO-0-13-3 |
| Wiley ID |
1541951 |
