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5H-Dibenzo[a,d]cycloheptene-10,11-diacetic acid, 10,11-dihydro-, dimethyl ester, (10R-trans)-
SpectraBase Compound ID LBdcXw3Oo3D
InChI InChI=1S/C21H22O4/c1-24-20(22)12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)19(18)13-21(23)25-2/h3-10,18-19H,11-13H2,1-2H3/t18-,19-/m0/s1
InChIKey LOFUJAIFENQYHE-OALUTQOASA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEHx3hh8b2b
Name 5H-Dibenzo[a,d]cycloheptene-10,11-diacetic acid, 10,11-dihydro-, dimethyl ester, (10R-trans)-
Alternate Name(s) (10R,11R)-10,11-Bis(methoxycarbonylmethyl)-l10,11-dihydro-5H-dibenzo[a,d]cycloheptene (10R,11R)-10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-10,11-bisacetic acid dimethyl ester Methyl[(10R,11R)-11-(2-methoxy-2-oxoethyl)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-10-yl]acetate
CAS Registry Number 115474-51-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-24-20(22)12-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)19(18)13-21(23)25-2/h3-10,18-19H,11-13H2,1-2H3/t18-,19-/m0/s1
InChIKey LOFUJAIFENQYHE-OALUTQOASA-N
Molecular Weight 338.403 g/mol
SMILES [C@@]1([C@](c2c(cccc2)Cc2c1cccc2)(CC(=O)OC)[H])(CC(=O)OC)[H]
SPLASH splash10-066r-0190000000-14585fcdf326d40b604d
Source of Spectrum F-43-4957-19
Wiley ID 1333984