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Octadecanoic-2,2-D2 acid, 3-pyridinylmethyl ester
SpectraBase Compound ID DvZ189ajv4H
InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h17-18,20-21H,2-16,19,22H2,1H3/i19D2
InChIKey MSCVPMAJZWQQRO-FKUWIZNHSA-N
Mol Weight 377.6 g/mol
Molecular Formula C24H392D2NO2
Exact Mass 377.326283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KszEiRnfTxa
Name Octadecanoic-2,2-D2 acid, 3-pyridinylmethyl ester
CAS Registry Number 118268-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H39D2NO2
InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)27-22-23-18-17-20-25-21-23/h17-18,20-21H,2-16,19,22H2,1H3/i19D2
InChIKey MSCVPMAJZWQQRO-FKUWIZNHSA-N
Molecular Weight 377.609 g/mol
SMILES C(=O)(OCc1cnccc1)C(CCCCCCCCCCCCCCCC)([2D])[2D]
SPLASH splash10-052f-9410000000-b89f1dc9395bd1ad8ea8
Source of Spectrum O-23-568-0
Synonyms 3-Pyridylmethyl 2,2-dideuteriooctadecanoate
Wiley ID 1357325