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8,12-Bis(hydroxymethyl)-4-oxatetracyclo[5.5.1.0(2,6).0(10,13)]tridecan-3-one
SpectraBase Compound ID 3Dc4EE4PO35
InChI InChI=1S/C14H20O4/c15-3-7-1-6-2-8(4-16)12-11(6)10(7)9-5-18-14(17)13(9)12/h6-13,15-16H,1-5H2
InChIKey JTZXBNJWHWUMLD-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91RpYGqMuH1
Name 8,12-Bis(hydroxymethyl)-4-oxatetracyclo[5.5.1.0(2,6).0(10,13)]tridecan-3-one
Alternate Name(s) 1,4-bis(hydroxymethyl)decahydrocyclopenta[3,4]pentaleno[1,2-c]furan-5(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c15-3-7-1-6-2-8(4-16)12-11(6)10(7)9-5-18-14(17)13(9)12/h6-13,15-16H,1-5H2
InChIKey JTZXBNJWHWUMLD-UHFFFAOYSA-N
Molecular Weight 252.310 g/mol
SMILES OCC1C2C3C(C(CO)CC3C1)C1C(OCC21)=O
SPLASH splash10-0006-8890000000-04f30f2899311660ecea
Source of Spectrum KC-0-1850-7
Wiley ID 828564