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3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID 8L7k1sPA705
InChI InChI=1S/C12H17NO5/c1-12(2,3)18-11(16)13-9-7-5-4-6(17-7)8(9)10(14)15/h4-9H,1-3H3,(H,13,16)(H,14,15)/t6-,7+,8?,9?/m0/s1
InChIKey BDISLHPIKVZWDN-MZUZGICHSA-N
Mol Weight 255.27 g/mol
Molecular Formula C12H17NO5
Exact Mass 255.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4XkBO75OKA
Name 3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Alternate Name(s) 3-[(tert-butoxycarbonyl)amino]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO5
InChI InChI=1S/C12H17NO5/c1-12(2,3)18-11(16)13-9-7-5-4-6(17-7)8(9)10(14)15/h4-9H,1-3H3,(H,13,16)(H,14,15)/t6-,7+,8?,9?/m0/s1
InChIKey BDISLHPIKVZWDN-MZUZGICHSA-N
Molecular Weight 255.270 g/mol
SMILES N(C(OC(C)(C)C)=O)C1C(C(=O)O)[C@]2(O[C@@]1(C=C2)[H])[H]
SPLASH splash10-000i-0900000000-80c92817bffa726c69c9
Source of Spectrum F-49-1989-4
Wiley ID 1258703