| SpectraBase Spectrum ID |
8lB3UfJ5Lw7 |
| Name |
7,8-Dimethoxy-3-trifluoromethanesulfonyl-2,3,4,5-tetrahydro-benzo[d]azepin-1-one |
| Alternate Name(s) |
7,8-Dimethoxy-3-(trifluoromethanesulfonyl)benzaepinone
7,8-dimethoxy-3-[(trifluoromethyl)sulfonyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14F3NO5S |
| InChI |
InChI=1S/C13H14F3NO5S/c1-21-11-5-8-3-4-17(23(19,20)13(14,15)16)7-10(18)9(8)6-12(11)22-2/h5-6H,3-4,7H2,1-2H3 |
| InChIKey |
LWPLUVXUGNSMJT-UHFFFAOYSA-N |
| Molecular Weight |
353.312 g/mol |
| SMILES |
C1N(S(C(F)(F)F)(=O)=O)CCc2cc(c(cc2C1=O)OC)OC |
| SPLASH |
splash10-00di-0095000000-c3c84546402fb61fe86a |
| Source of Spectrum |
H1-45-1125-2 |
| Wiley ID |
758298 |
