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2-[(tert-Butoxycarbonyl)amino]-3-(trifluoromethoxy)benzoic acid
SpectraBase Compound ID 9W3zMHcGiLB
InChI InChI=1S/C13H14F3NO5/c1-12(2,3)22-11(20)17-9-7(10(18)19)5-4-6-8(9)21-13(14,15)16/h4-6H,1-3H3,(H,17,20)(H,18,19)
InChIKey DYINHAOLKZFJQC-UHFFFAOYSA-N
Mol Weight 321.25 g/mol
Molecular Formula C13H14F3NO5
Exact Mass 321.082407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XRPoOYsDkO
Name 2-[(tert-Butoxycarbonyl)amino]-3-(trifluoromethoxy)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14F3NO5
InChI InChI=1S/C13H14F3NO5/c1-12(2,3)22-11(20)17-9-7(10(18)19)5-4-6-8(9)21-13(14,15)16/h4-6H,1-3H3,(H,17,20)(H,18,19)
InChIKey DYINHAOLKZFJQC-UHFFFAOYSA-N
Molecular Weight 321.252 g/mol
SMILES N(c1c(C(=O)O)cccc1OC(F)(F)F)C(=O)OC(C)(C)C
SPLASH splash10-00dr-0090000000-2b97fcccc9608ee05521
Source of Spectrum F-68-4696-1
Synonyms 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethoxy)benzoic acid 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyloxy)benzoic acid 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(trifluoromethoxy)benzoic acid
Wiley ID 1572733