| SpectraBase Spectrum ID |
GXhJwnDxjYu |
| Name |
trans-3'-Hydroxycotinine acetate |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
234.100442316 u |
| Formula |
C12H14N2O3 |
| InChI |
InChI=1S/C12H14N2O3/c1-8(15)17-11-6-10(14(2)12(11)16)9-4-3-5-13-7-9/h3-5,7,10-11H,6H2,1-2H3 |
| InChIKey |
ZCLBVMFGRVMSHK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
234.255 g/mol |
| Nominal Mass |
234 u |
| Quality |
995 |
| Retention Index |
1852 |
| SMILES |
C1(N(C(C(C1)OC(=O)C)=O)C)C1=CC=CN=C1 |
| SPLASH |
splash10-05fu-5900000000-5cbf3cd3f3bd7dd7d14f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-methyl-2-oxo-5-(pyridin-3-yl)pyrrolidin-3-yl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033083 |
