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Butyl (E)-4-deuterio-2,2-dimethyl-3-butenoate
SpectraBase Compound ID Hl7Hmsab2zv
InChI InChI=1S/C10H18O2/c1-5-7-8-12-9(11)10(3,4)6-2/h6H,2,5,7-8H2,1,3-4H3/i2D/b6-2+
InChIKey ZCHGCMHKUGOOPG-NJKRBLOQSA-N
Mol Weight 171.26 g/mol
Molecular Formula C10H17DO2
Exact Mass 171.136957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQCCHTxOXCY
Name Butyl (E)-4-deuterio-2,2-dimethyl-3-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 171.136956564 u
Formula C10H17DO2
InChI InChI=1S/C10H18O2/c1-5-7-8-12-9(11)10(3,4)6-2/h6H,2,5,7-8H2,1,3-4H3/i2D/b6-2+
InChIKey ZCHGCMHKUGOOPG-NJKRBLOQSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602150
Molecular Weight 171.258 g/mol
Quality 85
Reported Formula C10H17DO2
SMILES C(CCC)OC(C(\C=C\[D])(C)C)=O
SPLASH splash10-05fr-9000000000-f590e31e320a6ae15859
Source of Spectrum QE-22-SM43-{(E)-3aa-d (DOI: 10.1002/chem.201602150)
Wiley ID 1904968