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4-Nonenoic-4,5-D2 acid, methyl ester
SpectraBase Compound ID 3G11nCGBhDK
InChI InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+/i6D,7D
InChIKey KPBDKJYRYZNWGX-ITRJFYCISA-N
Mol Weight 172.26 g/mol
Molecular Formula C10H16D2O2
Exact Mass 172.143233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xQEsWu8gUG
Name 4-Nonenoic-4,5-D2 acid, methyl ester
Alternate Name(s) Methyl-4,5-dideuterio-4 nonenoate
CAS Registry Number 20731-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16D2O2
InChI InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+/i6D,7D
InChIKey KPBDKJYRYZNWGX-ITRJFYCISA-N
Molecular Weight 172.264 g/mol
SMILES C(=O)(OC)CC\C(=C\(CCCC)[D])[D]
SPLASH splash10-0a6u-9000000000-bd061406c18686fb572c
Source of Spectrum EP-4807-0-0
Wiley ID 1167321