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5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID 3c69RmGSyls
InChI InChI=1S/C15H15NO4/c1-15(2)19-13(17)11(14(18)20-15)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,16H,7H2,1-2H3
InChIKey BDAVXCPEOTZZLK-UHFFFAOYSA-N
Mol Weight 273.29 g/mol
Molecular Formula C15H15NO4
Exact Mass 273.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzvjphSxCT2
Name 5-(1H-Indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
Alternate Name(s) 1,3-Dioxane-4,6-dione, 5-(3(1H)-indolylmethyl)-2,2-dimethyl- 2,2-Dimethyl-5-(3-indolylmethyl)-1,3-dioxane-4,6-dione 5-(1H-indol-3-ylmethyl)-2,2-dimethyl-1,3-dioxane-4,6-quinone
CAS Registry Number 72651-98-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO4
InChI InChI=1S/C15H15NO4/c1-15(2)19-13(17)11(14(18)20-15)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,16H,7H2,1-2H3
InChIKey BDAVXCPEOTZZLK-UHFFFAOYSA-N
Molecular Weight 273.288 g/mol
SMILES [nH]1c2c(c(c1)CC1C(OC(OC1=O)(C)C)=O)cccc2
SPLASH splash10-00ec-0930000000-680666a4f4bf93dd843d
Source of Spectrum SO-0-256-2
Wiley ID 876364