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1,6-Naphthalenediol, 4-(1,1-dimethylethyl)-5-(2-pyridinyl)-, 1-acetate

View entire compound with spectra: 1 MS (GC)

1,6-Naphthalenediol, 4-(1,1-dimethylethyl)-5-(2-pyridinyl)-, 1-acetate
SpectraBase Compound ID IzbVcvU3O6v
InChI InChI=1S/C21H21NO3/c1-13(23)25-18-11-9-15(21(2,3)4)19-14(18)8-10-17(24)20(19)16-7-5-6-12-22-16/h5-12,24H,1-4H3
InChIKey BKXAERBNBXSFAZ-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90CKYWNebdC
Name 1,6-Naphthalenediol, 4-(1,1-dimethylethyl)-5-(2-pyridinyl)-, 1-acetate
Alternate Name(s) 4-(tert-butyl)-6-hydroxy-5-(pyridin-2-yl)naphthalen-1-yl acetate 4-Tert-butyl-6-hydroxy-5-(pyridin-2-yl)naphthalen-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c1-13(23)25-18-11-9-15(21(2,3)4)19-14(18)8-10-17(24)20(19)16-7-5-6-12-22-16/h5-12,24H,1-4H3
InChIKey BKXAERBNBXSFAZ-UHFFFAOYSA-N
Molecular Weight 335.403 g/mol
SMILES Oc1c(c2c(ccc(OC(C)=O)c2cc1)C(C)(C)C)-c1ccccn1
SPLASH splash10-002r-1090000000-6659f509b0ae2c967b75
Source of Spectrum JX-2015-3-679
Wiley ID 1724225