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1,3-Methanonaphthalene-4a(2H)-carboxylic acid, 1,3,4,5,8,8a-hexahydro-2,2-dimethyl-4-oxo-, ethyl ester, [1R-(1.alpha.,3.alpha.,4a.beta.,8a.beta.)]-
SpectraBase Compound ID 4Ie3ZOBFh2g
InChI InChI=1S/C16H22O3/c1-4-19-14(18)16-8-6-5-7-10(16)11-9-12(13(16)17)15(11,2)3/h5-6,10-12H,4,7-9H2,1-3H3/t10-,11-,12-,16+/m1/s1
InChIKey QWLXTZIPSZUFAM-QHSOUUPTSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hdUGYZAQ9E
Name 1,3-Methanonaphthalene-4a(2H)-carboxylic acid, 1,3,4,5,8,8a-hexahydro-2,2-dimethyl-4-oxo-, ethyl ester, [1R-(1.alpha.,3.alpha.,4a.beta.,8a.beta.)]-
Alternate Name(s) (2R,4S,9R,10S)-(+)-3,3-dimethyl-9-(ethoxycarbonyl)-2,4-methano-cis-.delta.(6)-1-octalone Ethyl (1R,2R,7S,9S)-10,10-dimethyl-8-oxotricyclo[7.1.1.0(2,7)]undec-4-ene-7-carboxylate
CAS Registry Number 96246-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-4-19-14(18)16-8-6-5-7-10(16)11-9-12(13(16)17)15(11,2)3/h5-6,10-12H,4,7-9H2,1-3H3/t10-,11-,12-,16+/m1/s1
InChIKey QWLXTZIPSZUFAM-QHSOUUPTSA-N
Molecular Weight 262.349 g/mol
SMILES [C@]12(C([C@@]3([H])C[C@]([C@]2(CC=CC1)[H])(C3(C)C)[H])=O)C(=O)OCC
SPLASH splash10-053v-9300000000-86da7d654320c94e663d
Source of Spectrum J-50-1909-8
Wiley ID 1266140