| SpectraBase Compound ID | HADwcyfmjHi |
|---|---|
| InChI | InChI=1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2 |
| InChIKey | XAASLEJRGFPHEV-UHFFFAOYSA-N |
| Mol Weight | 133.15 g/mol |
| Molecular Formula | C8H7NO |
| Exact Mass | 133.052764 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbA43ZCeTrQ |
|---|---|
| Name | 4-(Hydroxymethyl)-benzonitril, 4-cyanobenzylalcohol |
| CAS Registry Number | 874-89-5 |
| Comments | broad-band decoupling (BB) |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H7NO |
| InChI | InChI=1S/C8H7NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,6H2 |
| InChIKey | XAASLEJRGFPHEV-UHFFFAOYSA-N |
| Instrument Name | SF = 270 MHz |
| Literature Reference | Tetrahedron Lett. 25, 169 (1984). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Acetone |