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22-oxa-1,14-propanocycloeicosan-2,13-dione
SpectraBase Compound ID GrhifpVKrnx
InChI InChI=1S/C22H38O3/c23-21-15-11-5-3-1-2-4-6-12-16-22(24)20-14-10-8-7-9-13-19(21)17-25-18-20/h19-20H,1-18H2
InChIKey JTSGMRYHZAMFKV-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C22H38O3
Exact Mass 350.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKBykRh7NX7
Name 22-oxa-1,14-propanocycloeicosan-2,13-dione
Alternate Name(s) 22-Oxabicyclo[12.6.3]tricosane-2,13-dione
CAS Registry Number 130760-49-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38O3
InChI InChI=1S/C22H38O3/c23-21-15-11-5-3-1-2-4-6-12-16-22(24)20-14-10-8-7-9-13-19(21)17-25-18-20/h19-20H,1-18H2
InChIKey JTSGMRYHZAMFKV-UHFFFAOYSA-N
Molecular Weight 350.543 g/mol
SMILES C1(C2COCC(C(=O)CCCCCCCCCC1)CCCCCC2)=O
SPLASH splash10-0a4i-9000000000-9446ee5321771e4865b5
Source of Spectrum K-124-930-10
Wiley ID 1342262