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[1-13C]5-Methylcyclohept-1-enyl triflate
SpectraBase Compound ID CfJW3ori3pA
InChI InChI=1S/C9H13F3O3S/c1-7-3-2-4-8(6-5-7)15-16(13,14)9(10,11)12/h4,7H,2-3,5-6H2,1H3/t7-/m1/s1/i8+1
InChIKey JIDDXQSVISENNI-JGKGVNBQSA-N
Mol Weight 259.25 g/mol
Molecular Formula C813CH13F3O3S
Exact Mass 259.057105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDlrDlOYepp
Name [1-13C]5-Methylcyclohept-1-enyl triflate
Comments Original formula: C8[13C]H13F3O3S
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13F3O3S
InChI InChI=1S/C9H13F3O3S/c1-7-3-2-4-8(6-5-7)15-16(13,14)9(10,11)12/h4,7H,2-3,5-6H2,1H3/t7-/m1/s1/i8+1
InChIKey JIDDXQSVISENNI-JGKGVNBQSA-N
Molecular Weight 259.248 g/mol
SMILES C(S(O[13C]1=CCC[C@](CC1)(C)[H])(=O)=O)(F)(F)F
SPLASH splash10-0a4i-9300000000-590235152b755c86874a
Source of Spectrum F-67-8145-3
Wiley ID 1571134