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N-(tert-butoxycarbonylamino)-N-[(2R,5R,6S)-2-tert-butyl-4-keto-6-(trifluoromethyl)-1,3-dioxan-5-yl]carbamic acid tert-butyl ester
SpectraBase Compound ID 2tr4PDCjTXD
InChI InChI=1S/C19H31F3N2O7/c1-16(2,3)13-28-11(19(20,21)22)10(12(25)29-13)24(15(27)31-18(7,8)9)23-14(26)30-17(4,5)6/h10-11,13H,1-9H3,(H,23,26)/t10-,11+,13-/m1/s1
InChIKey YCHZCSPWJHPKLQ-NTZNESFSSA-N
Mol Weight 456.46 g/mol
Molecular Formula C19H31F3N2O7
Exact Mass 456.208336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3w6njLSIz6
Name N-(tert-butoxycarbonylamino)-N-[(2R,5R,6S)-2-tert-butyl-4-keto-6-(trifluoromethyl)-1,3-dioxan-5-yl]carbamic acid tert-butyl ester
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Formula C19H31F3N2O7
InChI InChI=1S/C19H31F3N2O7/c1-16(2,3)13-28-11(19(20,21)22)10(12(25)29-13)24(15(27)31-18(7,8)9)23-14(26)30-17(4,5)6/h10-11,13H,1-9H3,(H,23,26)/t10-,11+,13-/m1/s1
InChIKey YCHZCSPWJHPKLQ-NTZNESFSSA-N
Molecular Weight 456.459 g/mol
SMILES N(C(OC(C)(C)C)=O)N([C@@]1([C@](O[C@](OC1=O)(C(C)(C)C)[H])(C(F)(F)F)[H])[H])C(OC(C)(C)C)=O
SPLASH splash10-0a6u-9000000000-9d2d813abb231da8cfd3
Source of Spectrum F-52-285-17
Synonyms N-[(2R,5R,6S)-2-tert-butyl-4-oxo-6-(trifluoromethyl)-1,3-dioxan-5-yl]-N-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]carbamic acid tert-butyl ester tert-Butyl N-(tert-butoxycarbonylamino)-N-[(2R,5R,6S)-2-tert-butyl-4-oxo-6-(trifluoromethyl)-1,3-dioxan-5-yl]carbamate tert-Butyl N-[(2R,5R,6S)-2-tert-butyl-4-oxidanylidene-6-(trifluoromethyl)-1,3-dioxan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate tert-Butyl N-[(2R,5R,6S)-2-tert-butyl-4-oxo-6-(trifluoromethyl)-1,3-dioxan-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
Wiley ID 794593