| SpectraBase Compound ID | 69fmaLGqqR9 |
|---|---|
| InChI | InChI=1S/C16H17NO2/c1-2-4-16-5-6-17(15(16)3-1)9-11-7-13-14(8-12(11)16)19-10-18-13/h2,4,7-8,15H,1,3,5-6,9-10H2/t15?,16-/m1/s1 |
| InChIKey | VVDJPKXOZLKIOE-OEMAIJDKSA-N |
| Mol Weight | 255.32 g/mol |
| Molecular Formula | C16H17NO2 |
| Exact Mass | 255.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9POFM2PfwZ |
|---|---|
| Name | Crinan,1,2-didehydro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.125928789 u |
| Formula | C16H17NO2 |
| InChI | InChI=1S/C16H17NO2/c1-2-4-16-5-6-17(15(16)3-1)9-11-7-13-14(8-12(11)16)19-10-18-13/h2,4,7-8,15H,1,3,5-6,9-10H2/t15?,16-/m1/s1 |
| InChIKey | VVDJPKXOZLKIOE-OEMAIJDKSA-N |
| Molecular Weight | 255.317 g/mol |
| SMILES | C12=C(C=C3C(=C2)CN2C4[C@]3(C=CCC4)CC2)OCO1 |