| SpectraBase Compound ID | IMMBKTOCBch |
|---|---|
| InChI | InChI=1S/C15H21NO3/c1-4-5-9-19-14(17)11-16(3)15(18)13-8-6-7-12(2)10-13/h6-8,10H,4-5,9,11H2,1-3H3 |
| InChIKey | KUNPAORYHJFQEL-UHFFFAOYSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C15H21NO3 |
| Exact Mass | 263.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ls6PT10sKKb |
|---|---|
| Name | Sarcosine, N-(3-methylbenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.152143537 u |
| Formula | C15H21NO3 |
| InChI | InChI=1S/C15H21NO3/c1-4-5-9-19-14(17)11-16(3)15(18)13-8-6-7-12(2)10-13/h6-8,10H,4-5,9,11H2,1-3H3 |
| InChIKey | KUNPAORYHJFQEL-UHFFFAOYSA-N |
| Molecular Weight | 263.337 g/mol |
| SMILES | C1=CC=C(C=C1C(N(CC(OCCCC)=O)C)=O)C |