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1,3-Benzocyclododecenedicarboxylic acid, 5,6,7,8,9,10,11,12,13,14-decahydro-2-hydroxy-, diethyl ester
SpectraBase Compound ID 9cWYmmsTEfB
InChI InChI=1S/C22H32O5/c1-3-26-21(24)18-15-16-13-11-9-7-5-6-8-10-12-14-17(16)19(20(18)23)22(25)27-4-2/h15,23H,3-14H2,1-2H3
InChIKey NEXDYGNJOBDPOI-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fl7ewy3Khm
Name 1,3-Benzocyclododecenedicarboxylic acid, 5,6,7,8,9,10,11,12,13,14-decahydro-2-hydroxy-, diethyl ester
CAS Registry Number 62939-94-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-3-26-21(24)18-15-16-13-11-9-7-5-6-8-10-12-14-17(16)19(20(18)23)22(25)27-4-2/h15,23H,3-14H2,1-2H3
InChIKey NEXDYGNJOBDPOI-UHFFFAOYSA-N
Molecular Weight 376.493 g/mol
SMILES Oc1c(C(=O)OCC)cc2c(c1C(=O)OCC)CCCCCCCCCC2
SPLASH splash10-001i-0039000000-aeb0f7bd65ed23a10b7c
Source of Spectrum KC-1977-263-0
Synonyms Diethyl 2-hydroxy-5,6,7,8,9,10,11,12,13,14-decahydrobenzo[a]cyclododecene-1,3-dicarboxylate Diethyl 3-oxo pentandioate
Wiley ID 1357856