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Propanedioic acid, bis[3-(diphenylmethyl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]ester, [1R-[1.alpha.,2.alpha.(1R*,2R*,3R*,4R*),3.alpha.,4.alpha.]]-
SpectraBase Compound ID EX8cEl1240s
InChI InChI=1S/C49H56O4/c1-46(2)36-27-29-48(46,5)44(42(36)40(32-19-11-7-12-20-32)33-21-13-8-14-22-33)52-38(50)31-39(51)53-45-43(37-28-30-49(45,6)47(37,3)4)41(34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,36-37,40-45H,27-31H2,1-6H3/t36-,37+,42+,43?,44-,45?,48+,49-/m0/s1
InChIKey IBJIGVOXWAIUDT-QHKVUNFOSA-N
Mol Weight 709.0 g/mol
Molecular Formula C49H56O4
Exact Mass 708.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Dovu8Jwi3c
Name Propanedioic acid, bis[3-(diphenylmethyl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]ester, [1R-[1.alpha.,2.alpha.(1R*,2R*,3R*,4R*),3.alpha.,4.alpha.]]-
CAS Registry Number 113883-15-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H56O4
InChI InChI=1S/C49H56O4/c1-46(2)36-27-29-48(46,5)44(42(36)40(32-19-11-7-12-20-32)33-21-13-8-14-22-33)52-38(50)31-39(51)53-45-43(37-28-30-49(45,6)47(37,3)4)41(34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26,36-37,40-45H,27-31H2,1-6H3/t36-,37+,42+,43?,44-,45?,48+,49-/m0/s1
InChIKey IBJIGVOXWAIUDT-QHKVUNFOSA-N
Molecular Weight 708.983 g/mol
SMILES [C@@]12(C([C@@]([H])(CC2)[C@@]([C@@]1(OC(CC(OC1[C@]2(C(C)(C)[C@@](C1C(c1ccccc1)c1ccccc1)(CC2)[H])C)=O)=O)[H])(C(c1ccccc1)c1ccccc1)[H])(C)C)C
SPLASH splash10-014i-1911000000-9ee4294a9e959b32c015
Source of Spectrum F-43-2040-0
Synonyms 1-[(1S,2S,3R,4R)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]3-(3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl) malonate Bis[exo-diphenylmethyl]-isobornyl-malonate
Wiley ID 1415305