| SpectraBase Compound ID | 2GEMbSgTNcs |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-4-17-12(15)9-14(3)13(16)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3 |
| InChIKey | HKPQQTUJSYBWEI-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6Zu7jRTnND7 |
|---|---|
| Name | Sarcosine, N-(2-methylbenzoyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-4-17-12(15)9-14(3)13(16)11-8-6-5-7-10(11)2/h5-8H,4,9H2,1-3H3 |
| InChIKey | HKPQQTUJSYBWEI-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | C1=CC=CC(=C1C(N(C)CC(OCC)=O)=O)C |