| SpectraBase Spectrum ID |
4ysSmAsmDzr |
| Name |
(3S,9bR)-3-Ethyl-9b-methyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindolin-5-on-3-carboxylate |
| Appearance |
White crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H15NO3S |
| InChI |
InChI=1S/C14H15NO3S/c1-3-18-13(17)11-8-19-14(2)10-7-5-4-6-9(10)12(16)15(11)14/h4-7,11H,3,8H2,1-2H3/t11-,14-/m1/s1 |
| InChIKey |
GTNWMTWDVMTSOM-BXUZGUMPSA-N |
| Instrument Name |
Fisons VG Quattro II SQ or Kratos MS80 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0001.209 |
| Molecular Weight |
277.338 g/mol |
| Optical Rotation |
[a]D = -273.10 (c = 1.1, CHCl3) |
| Quality |
62 |
| SMILES |
C1S[C@]2(N([C@]1(C(OCC)=O)[H])C(C1=C2C=CC=C1)=O)C |
| SPLASH |
splash10-0fba-0390000000-26f22eeb7b44cce62759 |
| Source of Spectrum |
ARK-2000-156-5f (DOI: 10.3998/ark.5550190.0001.209) |
| Wiley ID |
1908468 |
![(3S,9bR)-3-Ethyl-9b-methyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindolin-5-on-3-carboxylate](/api/spectrum/4ysSmAsmDzr/structure.png?h=300&w=458 "(3S,9bR)-3-Ethyl-9b-methyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindolin-5-on-3-carboxylate")
