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

*Links on SpectraBase are not permalinks.
(phenylmethyl) N-[[(4S)-4-methyl-5-oxidanylidene-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]carbamate
SpectraBase Compound ID KwpInHkBUY8
InChI InChI=1S/C15H13F6NO5/c1-12(8-22-11(24)25-7-9-5-3-2-4-6-9)10(23)26-13(27-12,14(16,17)18)15(19,20)21/h2-6H,7-8H2,1H3,(H,22,24)/t12-/m0/s1
InChIKey KHGQKCSFJCODIH-LBPRGKRZSA-N
Mol Weight 401.26 g/mol
Molecular Formula C15H13F6NO5
Exact Mass 401.069791 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 4RrE8QspiM6
Name (phenylmethyl) N-[[(4S)-4-methyl-5-oxidanylidene-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13F6NO5
InChI InChI=1S/C15H13F6NO5/c1-12(8-22-11(24)25-7-9-5-3-2-4-6-9)10(23)26-13(27-12,14(16,17)18)15(19,20)21/h2-6H,7-8H2,1H3,(H,22,24)/t12-/m0/s1
InChIKey KHGQKCSFJCODIH-LBPRGKRZSA-N
Molecular Weight 401.261 g/mol
SMILES N(C(=O)OCc1ccccc1)C[C@@]1(OC(OC1=O)(C(F)(F)F)C(F)(F)F)C
SPLASH splash10-0006-9300000000-d95b658841b3cc9da460
Source of Spectrum SO-0-1277-5
Synonyms benzyl N-[[(4S)-4-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]carbamate N-[[(4S)-4-methyl-5-oxo-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]carbamic acid (phenylmethyl) ester N-[[(4S)-5-keto-4-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]methyl]carbamic acid benzyl ester
Wiley ID 874051