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cis-Dimethyl 3-methyl-6-phenylcyclohexa-1,4-dien-1,2-dicarboxylate
SpectraBase Compound ID 6p0LAi7lDNS
InChI InChI=1S/C17H18O4/c1-11-9-10-13(12-7-5-4-6-8-12)15(17(19)21-3)14(11)16(18)20-2/h4-11,13H,1-3H3/t11-,13-/m1/s1
InChIKey ADZMELOGZJOKJT-DGCLKSJQSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AP5X7jeGeWk
Name cis-Dimethyl 3-methyl-6-phenylcyclohexa-1,4-dien-1,2-dicarboxylate
Alternate Name(s) Dimethyl (3R,6R)-3-methyl-6-phenyl-1,4-cyclohexadiene-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-11-9-10-13(12-7-5-4-6-8-12)15(17(19)21-3)14(11)16(18)20-2/h4-11,13H,1-3H3/t11-,13-/m1/s1
InChIKey ADZMELOGZJOKJT-DGCLKSJQSA-N
Molecular Weight 286.327 g/mol
SMILES C1(=C(C(=O)OC)[C@](C)(C=C[C@@]1(c1ccccc1)[H])[H])C(=O)OC
SPLASH splash10-000i-1590000000-6a3e980c731de6208144
Source of Spectrum KC-0-2887-22
Wiley ID 823609