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Ethyl (3RS,6RS)-3-methyl-2-oxo-6-(prop-1-en-2-yl)cycloheptane-1-carboxylate
SpectraBase Compound ID 8cWgK6sCbJX
InChI InChI=1S/C14H22O3/c1-5-17-14(16)12-8-11(9(2)3)7-6-10(4)13(12)15/h10-12H,2,5-8H2,1,3-4H3/t10-,11-,12?/m1/s1
InChIKey YBZZTYSFECTBFM-XFKKCKKNSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9YAVPQEhsz
Name Ethyl (3RS,6RS)-3-methyl-2-oxo-6-(prop-1-en-2-yl)cycloheptane-1-carboxylate
Appearance Colorless
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-5-17-14(16)12-8-11(9(2)3)7-6-10(4)13(12)15/h10-12H,2,5-8H2,1,3-4H3/t10-,11-,12?/m1/s1
InChIKey YBZZTYSFECTBFM-XFKKCKKNSA-N
Instrument Name Agilent 7890A-5975C or Thermo Scientific Trace 1310-TSQ 8000 Evo
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202000129
Molecular Weight 238.327 g/mol
SMILES C1C[C@](C(C(C[C@@]1(C(C)=C)[H])C(=O)OCC)=O)(C)[H]
SPLASH splash10-0934-9400000000-216937ae033b1a2d102e
Sample Comments major
Source of Spectrum H-103-SM9-8a
Wiley ID 1856303