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(E)-2-Carbomethoxy-2-(carbo-T-butoxy-methyl)-3-(3-bromo-5,6-dihydro-naphth-7-yl)-cyclopentanone
SpectraBase Compound ID 3qTwyBKldUK
InChI InChI=1S/C23H27BrO5/c1-22(2,3)29-20(26)13-23(21(27)28-4)18(9-10-19(23)25)16-6-5-15-12-17(24)8-7-14(15)11-16/h7-8,11-12,18H,5-6,9-10,13H2,1-4H3
InChIKey YEJCJASRJGRXNL-UHFFFAOYSA-N
Mol Weight 463.37 g/mol
Molecular Formula C23H27BrO5
Exact Mass 462.104187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3izmR6bJoil
Name 2-Cyclopentene-1-carboxylic acid, 5-(6-bromo-3,4-dihydro-2-naphthalenyl)-2-[2-(1,1-dimethylethoxy)-2-ox oethoxy]-, methyl ester, trans-
CAS Registry Number 79976-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27BrO5
InChI InChI=1S/C23H27BrO5/c1-22(2,3)29-20(26)13-23(21(27)28-4)18(9-10-19(23)25)16-6-5-15-12-17(24)8-7-14(15)11-16/h7-8,11-12,18H,5-6,9-10,13H2,1-4H3
InChIKey YEJCJASRJGRXNL-UHFFFAOYSA-N
Molecular Weight 463.368 g/mol
SMILES C1(C(C2=Cc3ccc(cc3CC2)Br)CCC1=O)(C(=O)OC)CC(OC(C)(C)C)=O
SPLASH splash10-052f-9000000000-4cbd166789e64c7b9e6e
Source of Spectrum C-103-7571-0
Synonyms (E)-2-(carbomethoxy)-2-(carbo-tert-butoxymethyl)-3-(3-bromo-5,6-dihydronaphth-7-yl)cyclopentanone Methyl 2-(6-bromo-3,4-dihydro-2-naphthalenyl)-1-(2-tert-butoxy-2-oxoethyl)-5-oxocyclopentanecarboxylate
Wiley ID 1390975