| SpectraBase Spectrum ID |
FLavX8D1NV4 |
| Name |
(S)-5-(Benzo[D][1,3]dioxol-5-yl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.121177761 u |
| Formula |
C17H16N2O2 |
| InChI |
InChI=1S/C17H16N2O2/c1-12-9-15(19(18-12)14-5-3-2-4-6-14)13-7-8-16-17(10-13)21-11-20-16/h2-8,10,15H,9,11H2,1H3/t15-/m0/s1 |
| InChIKey |
AVQCIFVFYWZMGT-HNNXBMFYSA-N |
| SMILES |
C1(=NN([C@@](C1)(C=1C=C2OCOC2=CC1)[H])C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941349 |
![(S)-5-(Benzo[d][1,3]dioxol-5-yl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazole](/api/spectrum/FLavX8D1NV4/structure.png?h=300&w=458 "(S)-5-(Benzo[d][1,3]dioxol-5-yl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazole")
