| SpectraBase Spectrum ID |
2Sq57xJuZns |
| Name |
3-Pyridineheptanoic acid, 1,2-dihydro-1-methyl-2-oxo- |
| Alternate Name(s) |
1,2-Dihydro-1-methyl-2-oxo-3-pyridinheptansaure
7-(1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)heptanoic acid |
| CAS Registry Number |
101074-61-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H19NO3 |
| InChI |
InChI=1S/C13H19NO3/c1-14-10-6-8-11(13(14)17)7-4-2-3-5-9-12(15)16/h6,8,10H,2-5,7,9H2,1H3,(H,15,16) |
| InChIKey |
WDQGBHSBUFTVOO-UHFFFAOYSA-N |
| Molecular Weight |
237.299 g/mol |
| SMILES |
OC(CCCCCCC=1C(N(C=CC1)C)=O)=O |
| SPLASH |
splash10-00di-0910000000-2720ac94530f2b151959 |
| Source of Spectrum |
K-118-4096-5 |
| Wiley ID |
1239560 |
