| SpectraBase Compound ID | 7r4GPzUCy6I |
|---|---|
| InChI | InChI=1S/C18H25NO3/c1-17(2,21)15(20)9-12-10-19-14-7-11(5-6-13(12)14)8-16-18(3,4)22-16/h5-7,10,15-16,19-21H,8-9H2,1-4H3 |
| InChIKey | NQRRFWUQNLTXFS-UHFFFAOYSA-N |
| Mol Weight | 303.4 g/mol |
| Molecular Formula | C18H25NO3 |
| Exact Mass | 303.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NQaJM8tOla |
|---|---|
| Name | 3-(2',3'-Dihydroxy-3'-methylbutyl)-6-(2'',3''-epoxy-3''-methylbutyl)indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.183443666 u |
| Formula | C18H25NO3 |
| InChI | InChI=1S/C18H25NO3/c1-17(2,21)15(20)9-12-10-19-14-7-11(5-6-13(12)14)8-16-18(3,4)22-16/h5-7,10,15-16,19-21H,8-9H2,1-4H3 |
| InChIKey | NQRRFWUQNLTXFS-UHFFFAOYSA-N |
| SMILES | C1(OC1CC1=CC=2NC=C(C2C=C1)CC(C(O)(C)C)O)(C)C |