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2-ketotetralin-1-carboxylic acid ethyl ester

View entire compound with spectra: 2 MS (GC)

2-ketotetralin-1-carboxylic acid ethyl ester
SpectraBase Compound ID 86uhknn5CxF
InChI InChI=1S/C13H14O3/c1-2-16-13(15)12-10-6-4-3-5-9(10)7-8-11(12)14/h3-6,12H,2,7-8H2,1H3
InChIKey OGKSZZUMPRYWKP-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UPL2lfsE5k
Name 2-ketotetralin-1-carboxylic acid ethyl ester
Alternate Name(s) 2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylic acid ethyl ester ethyl 2-oxidanylidene-3,4-dihydro-1H-naphthalene-1-carboxylate ethyl 2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate ethyl 2-oxotetralin-1-carboxylate
CAS Registry Number 66530-07-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-2-16-13(15)12-10-6-4-3-5-9(10)7-8-11(12)14/h3-6,12H,2,7-8H2,1H3
InChIKey OGKSZZUMPRYWKP-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C1(c2c(cccc2)CCC1=O)C(=O)OCC
SPLASH splash10-00di-0920000000-00fad61bca822821df21
Source of Spectrum F-48-4036-0
Wiley ID 1217791