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3-Nonenoic-3,4-D2 acid, methyl ester
SpectraBase Compound ID Iy0D4HhlC40
InChI InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h7-8H,3-6,9H2,1-2H3/b8-7+/i7D,8D
InChIKey MTDCXFZGUVZRSQ-NGFFTCBCSA-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 4HMtUkpWw1I
Name 3-Nonenoic-3,4-D2 acid, methyl ester
CAS Registry Number 20731-25-3
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/h7-8H,3-6,9H2,1-2H3/b8-7+/i7D,8D
InChIKey MTDCXFZGUVZRSQ-NGFFTCBCSA-N
Molecular Weight 172.264 g/mol
SMILES C(=O)(OC)C\C(=C\(CCCCC)[D])[D]
SPLASH splash10-0a4l-9000000000-7aa78bd49de222c8381f
Source of Spectrum EP-4809-0-0
Synonyms Methyl-3,4-dideutero-3-nonenoate
Wiley ID 1167320