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cis-2-deutero-2-pentadecyl-5-acetoxy-1,3-dioxane
SpectraBase Compound ID a9mMdEywsT
InChI InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-23-17-20(18-24-21)25-19(2)22/h20-21H,3-18H2,1-2H3/t20-,21+/i21D
InChIKey BLAASFFKTZQKDN-DSEZEXRCSA-N
Mol Weight 357.6 g/mol
Molecular Formula C21H392DO4
Exact Mass 357.298937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FD7CPAM7oU4
Name cis-2-deutero-2-pentadecyl-5-acetoxy-1,3-dioxane
CAS Registry Number 41563-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H39DO4
InChI InChI=1S/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-23-17-20(18-24-21)25-19(2)22/h20-21H,3-18H2,1-2H3/t20-,21+/i21D
InChIKey BLAASFFKTZQKDN-DSEZEXRCSA-N
Molecular Weight 357.553 g/mol
SMILES [C@]1(OC[C@](CO1)(OC(=O)C)[H])(CCCCCCCCCCCCCCC)[2D]
SPLASH splash10-002b-9500000000-4d5215fa9ca0a0a5b2ea
Source of Spectrum EP-5192-0-0
Wiley ID 1346003