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2-Pentenoic-3-d acid, 2-(1-methylethenyl)-, (E)-
SpectraBase Compound ID 1KuSbzXORt5
InChI InChI=1S/C8H12O2/c1-4-5-7(6(2)3)8(9)10/h5H,2,4H2,1,3H3,(H,9,10)/b7-5+/i5D
InChIKey LRQLGGWBWJGZSZ-WCOCUMAXSA-N
Mol Weight 141.19 g/mol
Molecular Formula C8H11DO2
Exact Mass 141.090006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOEXtdq85Qk
Name 2-Pentenoic-3-d acid, 2-(1-methylethenyl)-, (E)-
CAS Registry Number 125635-99-6
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 1139483 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11DO2
InChI InChI=1S/C8H12O2/c1-4-5-7(6(2)3)8(9)10/h5H,2,4H2,1,3H3,(H,9,10)/b7-5+/i5D
InChIKey LRQLGGWBWJGZSZ-WCOCUMAXSA-N
Molecular Weight 141.188 g/mol
SMILES OC(\C(C(=C)C)=C\(CC)[D])=O
SPLASH splash10-004n-4900000000-a4949d8594db72cc0be8
Source of Spectrum B-42-477-10
Synonyms 3-Deuterio-2-(1-methylethenyl)-2-pentenoic acid
Wiley ID 1821075