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ETHYL-2-PROPYL-PERHYDRO-6-AZULENECARBOXYLATE
SpectraBase Compound ID CXO4UT3LCzd
InChI InChI=1S/C16H28O2/c1-3-5-12-10-14-8-6-13(16(17)18-4-2)7-9-15(14)11-12/h12-15H,3-11H2,1-2H3/t12-,13+,14+,15-
InChIKey LJLINEVJFGWVLJ-PYHGIMPFSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1imjmvVW2i
Name (2R,3aR,6S,8aS)-2-Propyl-decahydro-azulene-6-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-3-5-12-10-14-8-6-13(16(17)18-4-2)7-9-15(14)11-12/h12-15H,3-11H2,1-2H3/t12-,13+,14+,15-
InChIKey LJLINEVJFGWVLJ-PYHGIMPFSA-N
Molecular Weight 252.398 g/mol
SMILES C([C@]1(CC[C@]2(C[C@](C[C@]2(CC1)[H])(CCC)[H])[H])[H])(=O)OCC
SPLASH splash10-114r-1960000000-d695a97646b942cd1237
Source of Spectrum K1-0-5566-13
Synonyms cis-Ethyl 2-Propyl-perhydro-6-azulenecarboxylate Ethyl (3aR,8aS)-2-propyldecahydro-6-azulenecarboxylate
Wiley ID 1589851