SpectraBase Spectrum ID |
HE3BnGJLVDV |
Name |
4,4-bis(4-methoxyphenyl)-8-(trifluoromethyl)pyrrolo[2,1-c][1,4]benzothiazine |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C26H20F3NO2S |
InChI |
InChI=1S/C26H20F3NO2S/c1-31-20-10-5-17(6-11-20)25(18-7-12-21(32-2)13-8-18)24-4-3-15-30(24)22-16-19(26(27,28)29)9-14-23(22)33-25/h3-16H,1-2H3 |
InChIKey |
MDSCXTNAHUNHTJ-UHFFFAOYSA-N |
Molecular Weight |
467.506 g/mol |
SMILES |
C1(Sc2c(-[n]3c1ccc3)cc(cc2)C(F)(F)F)(c1ccc(cc1)OC)c1ccc(cc1)OC |
SPLASH |
splash10-03xr-0009700000-790e701af47aae4fb681 |
Source of Spectrum |
E1-38-4407-23 |
Wiley ID |
1598519 |