| SpectraBase Spectrum ID |
DQLu4GJVQf4 |
| Name |
1-[(1R,2S)-1-(difluoromethyl)-2-methyl-but-3-enyl]sulfanyl-4-methyl-benzene |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16F2S |
| InChI |
InChI=1S/C13H16F2S/c1-4-10(3)12(13(14)15)16-11-7-5-9(2)6-8-11/h4-8,10,12-13H,1H2,2-3H3/t10-,12+/m0/s1 |
| InChIKey |
GYNJGVGICRLVMK-CMPLNLGQSA-N |
| Instrument Name |
TSQ 8000 Evo |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000119 |
| Molecular Weight |
242.328 g/mol |
| SMILES |
c1(ccc(cc1)S[C@]([C@](C=C)(C)[H])(C(F)F)[H])C |
| SPLASH |
splash10-01bl-0920000000-42bc987d38dc4545d89e |
| Sample Comments |
dr = 3:1 |
| Source of Spectrum |
ACI-59-SM63-6n |
| Wiley ID |
1857726 |
![1-[(1R,2S)-1-(difluoromethyl)-2-methyl-but-3-enyl]sulfanyl-4-methyl-benzene](/api/spectrum/DQLu4GJVQf4/structure.png?h=300&w=458 "1-[(1R,2S)-1-(difluoromethyl)-2-methyl-but-3-enyl]sulfanyl-4-methyl-benzene")
