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6-Nonenoic-6,7-D2 acid, methyl ester
SpectraBase Compound ID BV3THFr5zjw
InChI InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h4-5H,3,6-9H2,1-2H3/b5-4+/i4D,5D
InChIKey IAXJWKAHMIYBRY-AXXYTVHGSA-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 KaTHkWq96Ip
Name 6-Nonenoic-6,7-D2 acid, methyl ester
CAS Registry Number 20731-27-5
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/h4-5H,3,6-9H2,1-2H3/b5-4+/i4D,5D
InChIKey IAXJWKAHMIYBRY-AXXYTVHGSA-N
Molecular Weight 172.264 g/mol
SMILES C(=O)(OC)CCCC\C(=C\(CC)[D])[D]
SPLASH splash10-0596-9000000000-5397c8c3ec8afd140e76
Source of Spectrum EP-4794-0-0
Synonyms Methyl 6,7 dideutero-6-nonenoate
Wiley ID 1167323