| SpectraBase Spectrum ID |
30Di8rEZihB |
| Name |
(4R,5S)-4-(1H-1,2,3-Benzotriazol-1-yl)-5-methylcyclohexane-1,3-dione |
| Appearance |
Light brown solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13N3O2 |
| InChI |
InChI=1S/C13H13N3O2/c1-8-6-9(17)7-12(18)13(8)16-11-5-3-2-4-10(11)14-15-16/h2-5,8,13H,6-7H2,1H3/t8-,13+/m0/s1 |
| InChIKey |
MSQWEUFYNYDVPH-ISVAXAHUSA-N |
| Instrument Name |
HP 6890-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0011.b26 |
| Molecular Weight |
243.266 g/mol |
| SMILES |
C1C(=O)CC(=O)[C@@]([C@]1(C)[H])([n]1c2c(nn1)cccc2)[H] |
| SPLASH |
splash10-0006-6900000000-66ebeb326014577eccf8 |
| Source of Spectrum |
ARK-2010-340-12 |
| Wiley ID |
1869968 |
