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2-Amino-5-methoxy-6-methyl-3-(2,4-pentadienyl)-1,4-benzoquinone
SpectraBase Compound ID 8VW75fcBwZO
InChI InChI=1S/C13H15NO3/c1-4-5-6-7-9-10(14)11(15)8(2)13(17-3)12(9)16/h4-6H,1,7,14H2,2-3H3/b6-5+
InChIKey RLROCTMDAFKGPW-AATRIKPKSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGEvJgEj9u7
Name 2-Amino-5-methoxy-6-methyl-3-(2,4-pentadienyl)-1,4-benzoquinone
Alternate Name(s) 2-Amino-5-methoxy-6-methyl-3-[(2E)-2,4-pentadienyl]benzo-1,4-quinone
CAS Registry Number 84568-16-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-4-5-6-7-9-10(14)11(15)8(2)13(17-3)12(9)16/h4-6H,1,7,14H2,2-3H3/b6-5+
InChIKey RLROCTMDAFKGPW-AATRIKPKSA-N
Molecular Weight 233.267 g/mol
SMILES NC1=C(C(C(=C(C)C1=O)OC)=O)C\C=C\C=C
SPLASH splash10-014i-0910000000-963844dda9e8d902e0b3
Source of Spectrum J-52-3965-9
Wiley ID 1234899