| SpectraBase Spectrum ID |
1oc8Bx15qC |
| Name |
(S)-Phenylethylammonium (S)-But-3'-yn-2'-yl phthalate |
| Alternate Name(s) |
(1S)-1-phenylethanaminium 2-{[(1-methyl-2-propynyl)oxy]carbonyl}benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO4 |
| InChI |
InChI=1S/C12H10O4.C8H11N/c1-3-8(2)16-12(15)10-7-5-4-6-9(10)11(13)14;1-7(9)8-5-3-2-4-6-8/h1,4-8H,2H3,(H,13,14);2-7H,9H2,1H3/t;7-/m.0/s1 |
| InChIKey |
OGGWTBBTYPAJQX-ZLTKDMPESA-N |
| Molecular Weight |
339.391 g/mol |
| SMILES |
[C@]([NH3+])(c1ccccc1)(C)[H].C(c1c(C([O-])=O)cccc1)(OC(C#C)C)=O |
| SPLASH |
splash10-0pb9-3910000000-fb28700c4cfc3e4e86ce |
| Source of Spectrum |
KC-0-3273-18 |
| Wiley ID |
782602 |
