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4a(2H)-Naphthalenecarboxylic acid, 1,3,4,5,8,8a-hexahydro-1-(1-methylethylidene)-4-oxo-, ethyl ester, (4aR-cis)-
SpectraBase Compound ID JoY5Lr5Wgec
InChI InChI=1S/C16H22O3/c1-4-19-15(18)16-10-6-5-7-13(16)12(11(2)3)8-9-14(16)17/h5-6,13H,4,7-10H2,1-3H3/t13-,16+/m0/s1
InChIKey IZCMPLMKKSAQCM-XJKSGUPXSA-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 KO7DnQyM9xZ
Name 4a(2H)-Naphthalenecarboxylic acid, 1,3,4,5,8,8a-hexahydro-1-(1-methylethylidene)-4-oxo-, ethyl ester, (4aR-cis)-
CAS Registry Number 96246-17-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-4-19-15(18)16-10-6-5-7-13(16)12(11(2)3)8-9-14(16)17/h5-6,13H,4,7-10H2,1-3H3/t13-,16+/m0/s1
InChIKey IZCMPLMKKSAQCM-XJKSGUPXSA-N
Molecular Weight 262.349 g/mol
SMILES [C@]12([C@](C(=C(C)C)CCC2=O)(CC=CC1)[H])C(=O)OCC
SPLASH splash10-0fb9-9600000000-dedc492010a0e0c18319
Source of Spectrum J-50-1909-10
Synonyms (4R,9R,10S)-(+)-9-(ethoxycarbonyl)-4-(2-propenyl)-cis-.delta.(6)-1-octalone Ethyl (4aR,8aS)-1-(1-methylethylidene)-4-oxo-1,3,4,5,8,8a-hexahydro-4a(2H)-naphthalenecarboxylate
Wiley ID 1266141