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4-[N-(t-Butoxycarbonyl)amino]-tropone
SpectraBase Compound ID JdcKb2Aa7GZ
InChI InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-9-5-4-6-10(14)8-7-9/h4-8H,1-3H3,(H,13,15)
InChIKey CLSDPGKRYBYBJG-UHFFFAOYSA-N
Mol Weight 221.26 g/mol
Molecular Formula C12H15NO3
Exact Mass 221.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyrlYtB3rVY
Name 4-[N-(t-Butoxycarbonyl)amino]-tropone
Alternate Name(s) N-(5-oxo-1-cyclohepta-1,3,6-trienyl)carbamic acid tert-butyl ester tert-Butyl N-(5-oxocyclohepta-1,3,6-trien-1-yl)carbamate tert-Butyl N-(5-oxidanylidenecyclohepta-1,3,6-trien-1-yl)carbamate
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Formula C12H15NO3
InChI InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-9-5-4-6-10(14)8-7-9/h4-8H,1-3H3,(H,13,15)
InChIKey CLSDPGKRYBYBJG-UHFFFAOYSA-N
Molecular Weight 221.256 g/mol
SMILES N(C(OC(C)(C)C)=O)C=1C=CC(=O)C=CC1
SPLASH splash10-0a4i-9100000000-3691611d1fecbaa2af4b
Source of Spectrum QE-14-633-10
Wiley ID 1691856