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

*Links on SpectraBase are not permalinks.
2-Benzylsulfanylmethyl-3,3,3-trifluoropropionic acid
SpectraBase Compound ID LdG275wR1DG
InChI InChI=1S/C11H11F3O2S/c12-11(13,14)9(10(15)16)7-17-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)
InChIKey ORMULBWPTCFDNC-UHFFFAOYSA-N
Mol Weight 264.26 g/mol
Molecular Formula C11H11F3O2S
Exact Mass 264.043185 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 L02I6FwbLS6
Name 2-Benzylsulfanylmethyl-3,3,3-trifluoropropionic acid
Alternate Name(s) 2-(benzylsulfanylmethyl)-3,3,3-trifluoro-propanoic acid 2-[(benzylthio)methyl]-3,3,3-trifluoro-propionic acid 3,3,3-trifluoro-2-[(phenylmethylthio)methyl]propanoic acid 3,3,3-tris(fluoranyl)-2-[(phenylmethylsulfanyl)methyl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11F3O2S
InChI InChI=1S/C11H11F3O2S/c12-11(13,14)9(10(15)16)7-17-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)
InChIKey ORMULBWPTCFDNC-UHFFFAOYSA-N
Molecular Weight 264.262 g/mol
SMILES OC(C(C(F)(F)F)CSCc1ccccc1)=O
SPLASH splash10-0006-9100000000-c33a195fd313f814bf8d
Wiley ID 1440976