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4-[N-(t-Butocxycarbonyl)amino]-5-methyl-2,4,6-cycloheptatrien-1-one
SpectraBase Compound ID E9CoBRj7YD2
InChI InChI=1S/C13H17NO3/c1-9-5-6-10(15)7-8-11(9)14-12(16)17-13(2,3)4/h5-8H,1-4H3,(H,14,16)
InChIKey ZLGWCBIUWYVSDX-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnAxTbkwval
Name 4-[N-(t-Butocxycarbonyl)amino]-5-methyl-2,4,6-cycloheptatrien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-9-5-6-10(15)7-8-11(9)14-12(16)17-13(2,3)4/h5-8H,1-4H3,(H,14,16)
InChIKey ZLGWCBIUWYVSDX-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES N(C(OC(C)(C)C)=O)C1=C(C=CC(C=C1)=O)C
SPLASH splash10-0a4i-9800000000-b2882597b32abed6599c
Source of Spectrum QE-14-632-50
Synonyms 4-[N-(t-butoxycarbonyl)amino]-5-methyltropone
Wiley ID 1691860