| SpectraBase Spectrum ID |
5GbYlF6mpZs |
| Name |
Cyclopentanol, 2,2,4,5-tetramethyl-, 2,4-dinitrobenzoate, (1.alpha.,4.beta.,5.alpha.)-(.+-.)- |
| CAS Registry Number |
108964-92-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20N2O6 |
| InChI |
InChI=1S/C16H20N2O6/c1-9-8-16(3,4)14(10(9)2)24-15(19)12-6-5-11(17(20)21)7-13(12)18(22)23/h5-7,9-10,14H,8H2,1-4H3/t9-,10+,14+/m1/s1 |
| InChIKey |
NBCHRIWBALVQGD-BFVZDQMLSA-N |
| Molecular Weight |
336.344 g/mol |
| SMILES |
c1(c(N(=O)=O)cc(N(=O)=O)cc1)C(O[C@@]1(C(C[C@]([C@@]1(C)[H])(C)[H])(C)C)[H])=O |
| SPLASH |
splash10-001i-9000000000-bef85863a2e7510b05f0 |
| Source of Spectrum |
F-42-3196-46 |
| Synonyms |
(1'.alpha.,4'.beta.,5.alpha.)-2',2',4',5'-tetramethyl-1'-cyclopentyl 3,5-dinitrobenzoate
(1S,4R,5S)-2,2,4,5-tetramethylcyclopentyl 2,4-dinitrobenzoate |
| Wiley ID |
1332178 |
