| SpectraBase Spectrum ID |
CxWwuDoFCHt |
| Name |
3-Oxetanol, 2-methyl-, 3,5-dinitrobenzoate, cis- |
| Alternate Name(s) |
(2R,3R)-2-methyloxetanyl 3,5-dinitrobenzoate
cis-2-methyloxetan-3-yl 3,5-dinitrobenzoate |
| CAS Registry Number |
126822-51-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H10N2O7 |
| InChI |
InChI=1S/C11H10N2O7/c1-6-10(5-19-6)20-11(14)7-2-8(12(15)16)4-9(3-7)13(17)18/h2-4,6,10H,5H2,1H3/t6-,10-/m1/s1 |
| InChIKey |
XIUGGTYWWQQTFK-LHLIQPBNSA-N |
| Molecular Weight |
282.208 g/mol |
| SMILES |
c1(N(=O)=O)cc(N(=O)=O)cc(C(O[C@@]2(CO[C@@]2(C)[H])[H])=O)c1 |
| SPLASH |
splash10-0006-9000000000-9e0cc34c12c19a2d1084 |
| Source of Spectrum |
C-112-3539-13 |
| Wiley ID |
1285343 |
