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(1S,5R)-5,8,8-Trimethyl-1-[(8-methyl-1,2-dihydroisoquinolin-2-yl)carbonyl]-3-oxabicyclo[3.2.1]octan-2-one
SpectraBase Compound ID 9eSC0MR3g3w
InChI InChI=1S/C21H25NO3/c1-14-6-5-7-15-8-11-22(12-16(14)15)17(23)21-10-9-20(4,19(21,2)3)13-25-18(21)24/h5-8,11H,9-10,12-13H2,1-4H3/t20-,21-/m0/s1
InChIKey COTKJVOYNUMQAI-SFTDATJTSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87UNPlvfdgQ
Name (1S,5R)-5,8,8-Trimethyl-1-[(8-methyl-1,2-dihydroisoquinolin-2-yl)carbonyl]-3-oxabicyclo[3.2.1]octan-2-one
Alternate Name(s) (1S,5R)-5,8,8-trimethyl-1-[(8-methyl-2(1H)-isoquinolinyl)carbonyl]-3-oxabicyclo[3.2.1]octan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-14-6-5-7-15-8-11-22(12-16(14)15)17(23)21-10-9-20(4,19(21,2)3)13-25-18(21)24/h5-8,11H,9-10,12-13H2,1-4H3/t20-,21-/m0/s1
InChIKey COTKJVOYNUMQAI-SFTDATJTSA-N
Molecular Weight 339.435 g/mol
SMILES [C@]12(C(OC[C@](CC2)(C1(C)C)C)=O)C(=O)N1Cc2c(C=C1)cccc2C
SPLASH splash10-0006-0901000000-5c6433c78cfcf33daeb7
Source of Spectrum O1-61-309-9
Wiley ID 1592366