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2H,3H-N-Acetyl-2,7-dihydroxy-4-formyl-6-methoxyindole
SpectraBase Compound ID Hj7CzjpoCQh
InChI InChI=1S/C12H13NO5/c1-6(15)13-10(16)4-8-7(5-14)3-9(18-2)12(17)11(8)13/h3,5,10,16-17H,4H2,1-2H3
InChIKey YXZJHXKSEFAQRG-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qBj70zhI0
Name 2H,3H-N-Acetyl-2,7-dihydroxy-4-formyl-6-methoxyindole
Alternate Name(s) 1-Acetyl-2,7-dihydroxy-6-methoxy-4-indolinecarbaldehyde
CAS Registry Number 137542-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-6(15)13-10(16)4-8-7(5-14)3-9(18-2)12(17)11(8)13/h3,5,10,16-17H,4H2,1-2H3
InChIKey YXZJHXKSEFAQRG-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES Oc1c(cc(c2c1N(C(C2)O)C(=O)C)C=O)OC
SPLASH splash10-000x-2940000000-52653e7aec52aace76ca
Source of Spectrum J-57-593-0
Wiley ID 1254400