| SpectraBase Spectrum ID |
JxnCEYutSqu |
| Name |
(4R)-4-[2-(Phenylthio)propionyl]oxy]hept-2(E)-enoate |
| Alternate Name(s) |
(E,4R)-4-[1-oxo-2-(phenylthio)propoxy]-2-heptenoic acid methyl ester
Methyl (E,4R)-4-(2-phenylsulfanylpropanoyloxy)hept-2-enoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O4S |
| InChI |
InChI=1S/C17H22O4S/c1-4-8-14(11-12-16(18)20-3)21-17(19)13(2)22-15-9-6-5-7-10-15/h5-7,9-14H,4,8H2,1-3H3/b12-11+/t13?,14-/m1/s1 |
| InChIKey |
XHMKDZLCODDCIA-CKTFUPBXSA-N |
| Molecular Weight |
322.419 g/mol |
| SMILES |
C(O[C@@](\C=C\C(=O)OC)(CCC)[H])(C(Sc1ccccc1)C)=O |
| SPLASH |
splash10-000i-0900000000-507522a34b413ce17c0a |
| Source of Spectrum |
J-59-4468-10 |
| Wiley ID |
1321585 |
![(4R)-4-[2-(Phenylthio)propionyl]oxy]hept-2(E)-enoate](/api/spectrum/JxnCEYutSqu/structure.png?h=300&w=458 "(4R)-4-[2-(Phenylthio)propionyl]oxy]hept-2(E)-enoate")
