| SpectraBase Spectrum ID |
CDpTMRjxsEj |
| Name |
methyl 2-[(3,3-dimethyl-1-phenyl-butyl]-4-(2-quinolylmethoxy)benzoate |
| Appearance |
Waxy oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.230393859 u |
| Formula |
C30H31NO3 |
| InChI |
InChI=1S/C30H31NO3/c1-30(2,3)19-27(21-10-6-5-7-11-21)26-18-24(16-17-25(26)29(32)33-4)34-20-23-15-14-22-12-8-9-13-28(22)31-23/h5-18,27H,19-20H2,1-4H3 |
| InChIKey |
VDYBIDURRQJAIM-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202101682 |
| Molecular Weight |
453.582 g/mol |
| Quality |
33 |
| Reported Formula |
C30H31NO3 |
| SMILES |
C1=C(C(=CC(=C1)OCC1=NC2=C(C=C1)C=CC=C2)C(CC(C)(C)C)C1=CC=CC=C1)C(OC)=O |
| SPLASH |
splash10-03di-0309000000-105f3c183a24e5b8ac3a |
| Source of Spectrum |
ACI-60-SM39-6q (DOI: 10.1002/anie.202101682) |
| Wiley ID |
1891285 |
![methyl 2-[(3,3-dimethyl-1-phenyl-butyl]-4-(2-quinolylmethoxy)benzoate](/api/spectrum/CDpTMRjxsEj/structure.png?h=300&w=458 "methyl 2-[(3,3-dimethyl-1-phenyl-butyl]-4-(2-quinolylmethoxy)benzoate")
