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Cyclohepta[de]naphthalene-1,2-dicarboxylic acid, 7,8,9,10-tetrahydro-, dimethyl ester
SpectraBase Compound ID 4pQWwDAVhhM
InChI InChI=1S/C18H18O4/c1-21-17(19)14-10-12-8-5-7-11-6-3-4-9-13(15(11)12)16(14)18(20)22-2/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKey XLNKWFSHNLABRO-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3maWRfVfKcU
Name Cyclohepta[de]naphthalene-1,2-dicarboxylic acid, 7,8,9,10-tetrahydro-, dimethyl ester
Alternate Name(s) Dimethyl 7,8,9,10-tetrahydrocyclohepta[de]naphthalene-1,2-dicarboxylate
CAS Registry Number 199806-89-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-21-17(19)14-10-12-8-5-7-11-6-3-4-9-13(15(11)12)16(14)18(20)22-2/h5,7-8,10H,3-4,6,9H2,1-2H3
InChIKey XLNKWFSHNLABRO-UHFFFAOYSA-N
Molecular Weight 298.338 g/mol
SMILES c1(c(c2CCCCc3c2c(c1)ccc3)C(=O)OC)C(=O)OC
SPLASH splash10-014i-0090000000-c33f88c415f1b7f5c1f7
Source of Spectrum F-53-15980-26
Wiley ID 804473