| SpectraBase Compound ID | 53EzJTIWydZ |
|---|---|
| InChI | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 |
| InChIKey | GVGYEFKIHJTNQZ-RFQIPJPRSA-N |
| Mol Weight | 289.33 g/mol |
| Molecular Formula | C16H19NO4 |
| Exact Mass | 289.131408 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8BMKqsZ5AaH |
|---|---|
| Name | Benzoylecgonine |
| Catalog Number | 9001495 |
| CAS Registry Number | 519-09-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H19NO4 |
| InChI | InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1 |
| InChIKey | GVGYEFKIHJTNQZ-RFQIPJPRSA-N |
| Molecular Weight | 289.331 g/mol |
| SMILES | OC([C@@]1([C@]2(CC[C@](N2C)(C[C@@]1(OC(c1ccccc1)=O)[H])[H])[H])[H])=O |
| SPLASH | splash10-00gi-9600000000-a283b2d69cce82acad8f |
| Source of Spectrum | CAY-2023-850-0 |
| Wiley ID | 1888808 |