| SpectraBase Spectrum ID |
AOQqWZ9AsaO |
| Name |
(2RS,1'SR)-3-Methyl-2-(1-phenylethyl)butanoic acid |
| Alternate Name(s) |
2-isopropyl-3-phenylbutanoic acid
2-isopropyl-3-phenyl-butanoic acid
3-methyl-2-(1-phenylethyl)butanoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-9(2)12(13(14)15)10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,14,15) |
| InChIKey |
ISZRZXVVJXKFNZ-UHFFFAOYSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
OC(C(C(c1ccccc1)C)C(C)C)=O |
| SPLASH |
splash10-0a4i-0900000000-d9d4e8ce19859eb05e5b |
| Source of Spectrum |
KC-1992-3274-19 |
| Wiley ID |
777548 |
