| SpectraBase Spectrum ID |
LSMeTv24obM |
| Name |
(3S,9bR)-3-Methyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindolin-5-on-3-carboxylate |
| Appearance |
White needles |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.045964389 u |
| Formula |
C12H11NO3S |
| InChI |
InChI=1S/C12H11NO3S/c1-16-12(15)9-6-17-11-8-5-3-2-4-7(8)10(14)13(9)11/h2-5,9,11H,6H2,1H3/t9-,11-/m1/s1 |
| InChIKey |
ADUMHEIICWQYJW-MWLCHTKSSA-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 |
249.284 g/mol |
| Optical Rotation |
[a]D = -233.6o (c = 2.31, CHCl3) |
| Quality |
196 |
| SMILES |
C1S[C@]2(N([C@]1(C(OC)=O)[H])C(C1=C2C=CC=C1)=O)[H] |
| SPLASH |
splash10-052u-2920000000-c0380fb134e6853aac58 |
| Source of Spectrum |
ARK-2000-156-5g (DOI: 10.3998/ark.5550190.0001.209) |
| Wiley ID |
1908469 |
![(3S,9bR)-3-Methyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindolin-5-on-3-carboxylate](/api/spectrum/LSMeTv24obM/structure.png?h=300&w=458 "(3S,9bR)-3-Methyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindolin-5-on-3-carboxylate")
