| SpectraBase Spectrum ID |
BYFxay4j6fa |
| Name |
3,3,7,7-Tetramethyl-5-(4-nitrophenyl)-2,6-dioxabicyclo[2.2.2]octane |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.147058156 u |
| Formula |
C16H21NO4 |
| GC Column |
HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C16H21NO4/c1-15(2)9-12-13(20-14(15)21-16(12,3)4)10-5-7-11(8-6-10)17(18)19/h5-8,12-14H,9H2,1-4H3/t12-,13+,14+/m1/s1 |
| InChIKey |
CPHJDNUPURFQBO-RDBSUJKOSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Quality |
58 |
| Reported Formula |
C16H21NO4 |
| SMILES |
[C@]12(O[C@]([C@](C(O2)(C)C)(CC1(C)C)[H])(C1=CC=C(C=C1)[N+]([O-])=O)[H])[H] |
| SPLASH |
splash10-0006-0930000000-ba411dacd4be0ef12816 |
| Source of Spectrum |
QE-22-SM10-7j (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903188 |
![3,3,7,7-Tetramethyl-5-(4-nitrophenyl)-2,6-dioxabicyclo[2.2.2]octane](/api/spectrum/BYFxay4j6fa/structure.png?h=300&w=458 "3,3,7,7-Tetramethyl-5-(4-nitrophenyl)-2,6-dioxabicyclo[2.2.2]octane")
