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1,1-Cyclopropanedicarboxylic acid, 2-ethyl-2-formyl-, bis[3-(diphenylmethyl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]ester
SpectraBase Compound ID 3XMRStrT4Ts
InChI InChI=1S/C54H62O5/c1-8-53(34-55)33-54(53,47(56)58-45-43(39-29-31-51(45,6)49(39,2)3)41(35-21-13-9-14-22-35)36-23-15-10-16-24-36)48(57)59-46-44(40-30-32-52(46,7)50(40,4)5)42(37-25-17-11-18-26-37)38-27-19-12-20-28-38/h9-28,34,39-46H,8,29-33H2,1-7H3/t39-,40-,43?,44?,45?,46?,51+,52+,53?,54?/m0/s1
InChIKey RKYIUTOXPBGCLA-GGWOULBMSA-N
Mol Weight 791.1 g/mol
Molecular Formula C54H62O5
Exact Mass 790.459725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7zolTNJq0q
Name 1,1-Cyclopropanedicarboxylic acid, 2-ethyl-2-formyl-, bis[3-(diphenylmethyl)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]ester
Alternate Name(s) 2-Ethyl-2-formyl-1,1-cyclopropanedicarboxylic acid-bis[exo-diphenylmethyl]-isobornylester bis(3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl) 2-ethyl-2-formyl-1,1-cyclopropanedicarboxylate
CAS Registry Number 113883-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H62O5
InChI InChI=1S/C54H62O5/c1-8-53(34-55)33-54(53,47(56)58-45-43(39-29-31-51(45,6)49(39,2)3)41(35-21-13-9-14-22-35)36-23-15-10-16-24-36)48(57)59-46-44(40-30-32-52(46,7)50(40,4)5)42(37-25-17-11-18-26-37)38-27-19-12-20-28-38/h9-28,34,39-46H,8,29-33H2,1-7H3/t39-,40-,43?,44?,45?,46?,51+,52+,53?,54?/m0/s1
InChIKey RKYIUTOXPBGCLA-GGWOULBMSA-N
Molecular Weight 791.085 g/mol
SMILES C1(C(C=O)(CC)C1)(C(OC1[C@@]2(C(C)(C)[C@](C1C(c1ccccc1)c1ccccc1)(CC2)[H])C)=O)C(OC1[C@@]2(C(C)(C)[C@](C1C(c1ccccc1)c1ccccc1)(CC2)[H])C)=O
SPLASH splash10-014i-0901000000-4225e603e0577ee15e9e
Source of Spectrum F-43-2041-14
Wiley ID 1417036