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trans-2,3-di(methoxycarbonyl)-3-methylbicyclo[2.2.2]oct-5-ene
SpectraBase Compound ID LmDxsfJZGC1
InChI InChI=1S/C13H18O4/c1-13(12(15)17-3)9-6-4-8(5-7-9)10(13)11(14)16-2/h4,6,8-10H,5,7H2,1-3H3/t8-,9?,10+,13?/m0/s1
InChIKey MICRTYBWEUFCBV-CUYBNKCWSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 515eRmGsusV
Name trans-2,3-di(methoxycarbonyl)-3-methylbicyclo[2.2.2]oct-5-ene
Alternate Name(s) dimethyl (3S,4R)-2-methylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CAS Registry Number 117203-64-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-13(12(15)17-3)9-6-4-8(5-7-9)10(13)11(14)16-2/h4,6,8-10H,5,7H2,1-3H3/t8-,9?,10+,13?/m0/s1
InChIKey MICRTYBWEUFCBV-CUYBNKCWSA-N
Molecular Weight 238.283 g/mol
SMILES C1([C@@](C(=O)OC)([C@@]2([H])C=CC1CC2)[H])(C(=O)OC)C
SPLASH splash10-0a4i-0900000000-e9674c6786616f000732
Source of Spectrum O-24-39-0
Wiley ID 1240524