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(-)-7,8-Isopropylidene-2-(trifluorosulfonyl)-5,6,7,8-tetrahydrobenzo[b]pyridine
SpectraBase Compound ID 2ciITtB7EkZ
InChI InChI=1S/C13H14F3NO3S/c1-12(2)8-5-3-7-4-6-9(17-11(7)10(8)12)20-21(18,19)13(14,15)16/h4,6,8,10H,3,5H2,1-2H3/t8-,10-/m1/s1
InChIKey QOIIKKSIHZRSCN-PSASIEDQSA-N
Mol Weight 321.31 g/mol
Molecular Formula C13H14F3NO3S
Exact Mass 321.064649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBrIlW6siHU
Name (-)-7,8-Isopropylidene-2-(trifluorosulfonyl)-5,6,7,8-tetrahydrobenzo[b]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14F3NO3S
InChI InChI=1S/C13H14F3NO3S/c1-12(2)8-5-3-7-4-6-9(17-11(7)10(8)12)20-21(18,19)13(14,15)16/h4,6,8,10H,3,5H2,1-2H3/t8-,10-/m1/s1
InChIKey QOIIKKSIHZRSCN-PSASIEDQSA-N
Molecular Weight 321.314 g/mol
SMILES C(S(Oc1nc2[C@@]3(C(C)(C)[C@@]3(CCc2cc1)[H])[H])(=O)=O)(F)(F)F
SPLASH splash10-008j-6907000000-a54754af31773e36a5ef
Source of Spectrum F-68-4739-34
Synonyms [(1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinolin-6-yl] trifluoromethanesulfonate [(1aR,7bS)-1,1-dimethyl-1a,2,3,7b-tetrahydrocyclopropa[h]quinolin-6-yl] tris(fluoranyl)methanesulfonate
Wiley ID 1572716