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2-Hexenoic acid, trideuteromethyl ester
SpectraBase Compound ID 711JSQRzXu2
InChI InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+/i2D3
InChIKey GFUGBRNILVVWIE-DAGREIPASA-N
Mol Weight 131.19 g/mol
Molecular Formula C7H9D3O2
Exact Mass 131.10256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IqAmIIfGEMa
Name 2-Hexenoic acid, trideuteromethyl ester
CAS Registry Number 2396-77-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9D3O2
InChI InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3/b6-5+/i2D3
InChIKey GFUGBRNILVVWIE-DAGREIPASA-N
Molecular Weight 131.189 g/mol
SMILES C(OC(\C=C\CCC)=O)([D])([D])[D]
SPLASH splash10-052f-9200000000-587cc80cd0f43a54cf88
Source of Spectrum KH-69-1712-11
Synonyms Trideuteromethyl (2E)-2-hexenoate (E)-2-Hexenoic acid trideuteromethyl ester (E)-Hex-2-enoic acid trideuteromethyl ester 2-Hexenoic acid, trideuteromethyl ester, (E)- 2-Hexenoic acid, trideuteromethyl ester, (2E)- Trideuteromethyl (E)-2-hexenoate Trideuteromethyl (E)-hex-2-enoate Trideuteromethyl hex-2-enoate Trideuteromethyl 2-hexenoate
Wiley ID 1131148