| SpectraBase Compound ID | KG18867xN1X |
|---|---|
| InChI | InChI=1S/C31H44/c1-29(2,3)27-6-4-5-26(13-27)28(30-14-20-7-21(15-30)9-22(8-20)16-30)31-17-23-10-24(18-31)12-25(11-23)19-31/h4-6,13,20-25,28H,7-12,14-19H2,1-3H3/t20-,21+,22-,23-,24+,25-,30-,31- |
| InChIKey | VQOCTTAYMHMCNV-QMPFUNKUSA-N |
| Mol Weight | 416.7 g/mol |
| Molecular Formula | C31H44 |
| Exact Mass | 416.344301 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OrvsAqtTlw |
|---|---|
| Name | anti-DI-(1-ADAMANTYL)-m-(tert-BUTYL)-PHENYLMETHANE |
| Compound Number | 7A-H |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C31H44/c1-29(2,3)27-6-4-5-26(13-27)28(30-14-20-7-21(15-30)9-22(8-20)16-30)31-17-23-10-24(18-31)12-25(11-23)19-31/h4-6,13,20-25,28H,7-12,14-19H2,1-3H3/t20-,21+,22-,23-,24+,25-,30-,31- |
| InChIKey | VQOCTTAYMHMCNV-QMPFUNKUSA-N |
| Literature Reference | J.S.LOMAS,V.BRU-CAPDEVILLE J.CHEM.SOC.PERKIN-2,459(1994) |
| Solvent | Chloroform-d |
| Technique | SELECTIVE DECOUPLING; C/H SHIFT CORRELATION |