For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
t-Butyl (3R,5S)-3,5-syn-isopropylidenedioxy-7-[2-(cyclopropyl)-4-(4-fluorophenyl)quiolin-3-yl]-6-heptenoate
SpectraBase Compound ID 8a7iInhxlgS
InChI InChI=1S/C32H36FNO4/c1-31(2,3)38-28(35)19-24-18-23(36-32(4,5)37-24)16-17-26-29(20-12-14-22(33)15-13-20)25-8-6-7-9-27(25)34-30(26)21-10-11-21/h6-9,12-17,21,23-24H,10-11,18-19H2,1-5H3/b17-16+
InChIKey GTJPCLUSFUIHTP-WUKNDPDISA-N
Mol Weight 517.6 g/mol
Molecular Formula C32H36FNO4
Exact Mass 517.262837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FyI5XeOcPvg
Name t-Butyl (3R,5S)-3,5-syn-isopropylidenedioxy-7-[2-(cyclopropyl)-4-(4-fluorophenyl)quiolin-3-yl]-6-heptenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36FNO4
InChI InChI=1S/C32H36FNO4/c1-31(2,3)38-28(35)19-24-18-23(36-32(4,5)37-24)16-17-26-29(20-12-14-22(33)15-13-20)25-8-6-7-9-27(25)34-30(26)21-10-11-21/h6-9,12-17,21,23-24H,10-11,18-19H2,1-5H3/b17-16+
InChIKey GTJPCLUSFUIHTP-WUKNDPDISA-N
Molecular Weight 517.641 g/mol
SMILES c1(c(nc2c(c1-c1ccc(cc1)F)cccc2)C1CC1)\C=C\C1OC(C)(C)OC(C1)CC(OC(C)(C)C)=O
SPLASH splash10-0a73-5091100000-6ecfbef47a65c86b95f2
Source of Spectrum AT-34-8266-2
Wiley ID 852633