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N-Pentafluorophenyl-N-(1-naphtylmethylthio)methylcarbamic acid allyl ester
SpectraBase Compound ID 55qaY6Tugyb
InChI InChI=1S/C22H16F5NO2S/c1-2-10-30-22(29)28(21-19(26)17(24)16(23)18(25)20(21)27)12-31-11-14-8-5-7-13-6-3-4-9-15(13)14/h2-9H,1,10-12H2
InChIKey ITRKECDYAFVLFD-UHFFFAOYSA-N
Mol Weight 453.43 g/mol
Molecular Formula C22H16F5NO2S
Exact Mass 453.082191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8dE5bU0gJc
Name N-Pentafluorophenyl-N-(1-naphtylmethylthio)methylcarbamic acid allyl ester
Alternate Name(s) Allyl[(1-naphthylmethyl)sulfanyl]methyl(2,3,4,5,6-pentafluorophenyl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16F5NO2S
InChI InChI=1S/C22H16F5NO2S/c1-2-10-30-22(29)28(21-19(26)17(24)16(23)18(25)20(21)27)12-31-11-14-8-5-7-13-6-3-4-9-15(13)14/h2-9H,1,10-12H2
InChIKey ITRKECDYAFVLFD-UHFFFAOYSA-N
Molecular Weight 453.427 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)N(C(=O)OCC=C)CSCc1c2c(cccc2)ccc1
SPLASH splash10-00kf-6900000000-e26109e594000077b944
Source of Spectrum F-55-6956-12
Wiley ID 838167