| SpectraBase Spectrum ID |
8OV3s7czapP |
| Name |
(3S,9bR)-3-Methyl-9b-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 |
263.061614454 u |
| Formula |
C13H13NO3S |
| InChI |
InChI=1S/C13H13NO3S/c1-13-9-6-4-3-5-8(9)11(15)14(13)10(7-18-13)12(16)17-2/h3-6,10H,7H2,1-2H3/t10-,13-/m1/s1 |
| InChIKey |
MBTNUGIIRFHPQY-ZWNOBZJWSA-N |
| Instrument Name |
Fisons VG Quattro II SQ or Kratos MS80 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0001.209 |
| Optical Rotation |
[a]D = -289.6 (c = 1.75, CHCl3) |
| Quality |
143 |
| SMILES |
C1S[C@]2(N([C@]1(C(OC)=O)[H])C(C1=C2C=CC=C1)=O)C |
| SPLASH |
splash10-03di-0900000000-e74e66fc25c9410a80df |
| Source of Spectrum |
ARK-2000-156-5h (DOI: 10.3998/ark.5550190.0001.209) |
| Wiley ID |
1908470 |
![(3S,9bR)-3-Methyl-9b-methyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindolin-5-on-3-carboxylate](/api/spectrum/8OV3s7czapP/structure.png?h=300&w=458 "(3S,9bR)-3-Methyl-9b-methyl-2,3-dihydro-9bH-thiazolo[2,3-a]isoindolin-5-on-3-carboxylate")
