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dimethyl 5-aminoisophthalate-2,4,6-d3
SpectraBase Compound ID GvRXOtXNXOJ
InChI InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3/i3D,4D,5D
InChIKey DEKPYXUDJRABNK-QGZYMEECSA-N
Mol Weight 212.22 g/mol
Molecular Formula C10H8D3NO4
Exact Mass 212.087638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ufNyYtHTRK
Name dimethyl 5-aminoisophthalate-2,4,6-d3
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.087638072 u
Formula C10H8D3NO4
InChI InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3/i3D,4D,5D
InChIKey DEKPYXUDJRABNK-QGZYMEECSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202202423
Molecular Weight 212.219 g/mol
Quality 76
SMILES NC1=C(C(=C(C(=C1[D])C(=O)OC)[D])C(OC)=O)[D]
SPLASH splash10-0bvi-0790000000-267abfdd9ec8af5553fb
Source of Spectrum ACI-61-SM37-2r (DOI: 10.1002/anie.202202423)
Wiley ID 1899418