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cis-Ethyl 3-[2-Allyl-3-oxocycloheptyl]propanoate
SpectraBase Compound ID 8yJNEjiQUvG
InChI InChI=1S/C15H24O3/c1-3-7-13-12(8-5-6-9-14(13)16)10-11-15(17)18-4-2/h3,12-13H,1,4-11H2,2H3/t12-,13+/m0/s1
InChIKey UFUHQSNDHTXTCW-QWHCGFSZSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JMyOI62ro
Name cis-Ethyl 3-[2-Allyl-3-oxocycloheptyl]propanoate
Alternate Name(s) Ethyl 3-[(1S,2R)-2-allyl-3-oxocycloheptyl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-3-7-13-12(8-5-6-9-14(13)16)10-11-15(17)18-4-2/h3,12-13H,1,4-11H2,2H3/t12-,13+/m0/s1
InChIKey UFUHQSNDHTXTCW-QWHCGFSZSA-N
Molecular Weight 252.354 g/mol
SMILES C1([C@@]([C@](CCC(=O)OCC)(CCCC1)[H])(CC=C)[H])=O
SPLASH splash10-0a5a-9110000000-94c2a9c2f12a137248eb
Source of Spectrum J-61-6437-12
Wiley ID 1255957