SpectraBase Spectrum ID |
JFKeSTN3mV6 |
Name |
Thalidomide ME |
Classification |
Pharmaceutical drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
272.079706870 u |
Formula |
C14H12N2O4 |
InChI |
InChI=1S/C14H12N2O4/c1-15-11(17)7-6-10(14(15)20)16-12(18)8-4-2-3-5-9(8)13(16)19/h2-5,10H,6-7H2,1H3 |
InChIKey |
IYYPLFUVXTVBLD-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
272.260 g/mol |
Nominal Mass |
272 u |
Quality |
983 |
Retention Index |
2212 |
SMILES |
C1(N2C(C=3C(C2=O)=CC=CC3)=O)C(N(C(CC1)=O)C)=O |
SPLASH |
splash10-0fb9-7910000000-8486804540dcc45f2ca9 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-(1-methyl-2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione |
Technique |
GC/MS |
Wiley ID |
DD2024_004012 |