| SpectraBase Compound ID | 3gImEDc1JyK |
|---|---|
| InChI | InChI=1S/C18H29NOS/c1-4-6-8-11-16(3)19(14-5-2)18(20)15-21-17-12-9-7-10-13-17/h7,9-10,12-13,16H,4-6,8,11,14-15H2,1-3H3 |
| InChIKey | UZRQGVHCVKHASE-UHFFFAOYSA-N |
| Mol Weight | 307.5 g/mol |
| Molecular Formula | C18H29NOS |
| Exact Mass | 307.196986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KhNluwhuNI |
|---|---|
| Name | Acetamide, 2-phenylthio-N-propyl-N-(hept-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.196985731 u |
| Formula | C18H29NOS |
| InChI | InChI=1S/C18H29NOS/c1-4-6-8-11-16(3)19(14-5-2)18(20)15-21-17-12-9-7-10-13-17/h7,9-10,12-13,16H,4-6,8,11,14-15H2,1-3H3 |
| InChIKey | UZRQGVHCVKHASE-UHFFFAOYSA-N |
| Molecular Weight | 307.496 g/mol |
| SMILES | C(C(N(C(CCCCC)C)CCC)=O)SC1=CC=CC=C1 |