| SpectraBase Spectrum ID |
mnrRV6uYGI |
| Name |
8-(4-Bromophenyl)-8-[(2E)-hex-2-en-1-yloxy]-5-methyl-8H-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19BrN2O3S |
| InChI |
InChI=1S/C18H19BrN2O3S/c1-3-4-5-6-11-23-18(14-7-9-15(19)10-8-14)16-20-24-17(22)21(16)13(2)12-25-18/h5-10,12H,3-4,11H2,1-2H3/b6-5+ |
| InChIKey |
LDBPDNDFCXVQGQ-AATRIKPKSA-N |
| Instrument Name |
VG70 70E apparatus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/ml300436x |
| Molecular Weight |
423.325 g/mol |
| Reported Formula |
C18H19BrN2O3S |
| SMILES |
c1(Br)ccc(cc1)C1(SC=C(N2C1=NOC2=O)C)OC\C=C\CCC |
| SPLASH |
splash10-053r-9710000000-f6570d829da42b730a6e |
| Source of Spectrum |
MCS-4-SM3-2w |
| Wiley ID |
1864132 |
![8-(4-Bromophenyl)-8-[(2E)-hex-2-en-1-yloxy]-5-methyl-8H-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one](/api/spectrum/mnrRV6uYGI/structure.png?h=300&w=458 "8-(4-Bromophenyl)-8-[(2E)-hex-2-en-1-yloxy]-5-methyl-8H-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one")
