| SpectraBase Spectrum ID |
GV7gYeR9Ltm |
| Name |
Oxazole, 2,5-dihydro-4-(2-naphthalenylthio)-2,5-diphenyl-2,5-bis(trifluoromethyl)-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
517.093504322 u |
| Formula |
C27H17F6NOS |
| InChI |
InChI=1S/C27H17F6NOS/c28-26(29,30)24(20-11-3-1-4-12-20)23(36-22-16-15-18-9-7-8-10-19(18)17-22)34-25(35-24,27(31,32)33)21-13-5-2-6-14-21/h1-17H/t24-,25-/m0/s1 |
| InChIKey |
PWMQLKCMDACIQF-DQEYMECFSA-N |
| Molecular Weight |
517.489 g/mol |
| SMILES |
[C@]1(N=C(SC=2C=C3C=CC=CC3=CC2)[C@](O1)(C(F)(F)F)C1=CC=CC=C1)(C(F)(F)F)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902662 |
