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1-tert-Butyl-1,4-dihydroisochromen-3-one
SpectraBase Compound ID 3xIaZuLQtNK
InChI InChI=1S/C13H16O2/c1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12/h4-7,12H,8H2,1-3H3/t12-/m1/s1
InChIKey RCRJMHILXWNFDO-GFCCVEGCSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6mRa2wNJLK
Name 1-tert-Butyl-1,4-dihydroisochromen-3-one
Alternate Name(s) 1-tert-Butyl-3,4-dihydro-1H-2-benzopyran-3-one 1-tert-Butylisochroman-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-13(2,3)12-10-7-5-4-6-9(10)8-11(14)15-12/h4-7,12H,8H2,1-3H3/t12-/m1/s1
InChIKey RCRJMHILXWNFDO-GFCCVEGCSA-N
Molecular Weight 204.269 g/mol
SMILES [C@@]1(OC(=O)Cc2c1cccc2)(C(C)(C)C)[H]
SPLASH splash10-0002-0900000000-d1792e021ebee7af1bd6
Source of Spectrum AJ-67-584-5
Wiley ID 772522