| SpectraBase Spectrum ID |
923fXTwXmHK |
| Name |
Isonipecotic acid, N-(2,5-di(trifluoromethyl)benzoyl)-, heptadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
607.346013352 u |
| Formula |
C32H47F6NO3 |
| InChI |
InChI=1S/C32H47F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-42-30(41)25-19-21-39(22-20-25)29(40)27-24-26(31(33,34)35)17-18-28(27)32(36,37)38/h17-18,24-25H,2-16,19-23H2,1H3 |
| InChIKey |
SAHSZPVYOAGLBO-UHFFFAOYSA-N |
| Molecular Weight |
607.722 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCCOC(C1CCN(C(C2=C(C(F)(F)F)C=CC(=C2)C(F)(F)F)=O)CC1)=O |
