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4H-1-benzopyran-3-carboxylic acid-2-methyl-tert-butyl ester
SpectraBase Compound ID CgKTTxCFNUl
InChI InChI=1S/C15H18O3/c1-10-12(14(16)18-15(2,3)4)9-11-7-5-6-8-13(11)17-10/h5-8H,9H2,1-4H3
InChIKey UIJGZVAVZHJEOQ-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HldMppJ6PHX
Name 4H-1-benzopyran-3-carboxylic acid-2-methyl-tert-butyl ester
Alternate Name(s) tert-Butyl 2-methyl-4H-chromene-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-10-12(14(16)18-15(2,3)4)9-11-7-5-6-8-13(11)17-10/h5-8H,9H2,1-4H3
InChIKey UIJGZVAVZHJEOQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200347g
Molecular Weight 246.306 g/mol
SMILES c1ccc2OC(=C(Cc2c1)C(OC(C)(C)C)=O)C
SPLASH splash10-059j-4950000000-f45560eace98a7ace975
Source of Spectrum A1-13-1972/SMS10-3d
Wiley ID 1753015