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2-Propenoic acid, 3-[7-methyl-3-[(phenylmethoxy)methyl]bicyclo[4.1.0]hept-2-en-7-yl]-, ethyl ester, [1.alpha.,6.alpha.,7.alpha.(E)]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2-Propenoic acid, 3-[7-methyl-3-[(phenylmethoxy)methyl]bicyclo[4.1.0]hept-2-en-7-yl]-, ethyl ester, [1.alpha.,6.alpha.,7.alpha.(E)]-(.+-.)-
SpectraBase Compound ID 7ljscYd76d9
InChI InChI=1S/C21H26O3/c1-3-24-20(22)11-12-21(2)18-10-9-17(13-19(18)21)15-23-14-16-7-5-4-6-8-16/h4-8,11-13,18-19H,3,9-10,14-15H2,1-2H3/b12-11+/t18-,19+,21+/m1/s1
InChIKey GFKPFWFKTWDPKC-CEDMXCAPSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnVOfscRjyj
Name 2-Propenoic acid, 3-[7-methyl-3-[(phenylmethoxy)methyl]bicyclo[4.1.0]hept-2-en-7-yl]-, ethyl ester, [1.alpha.,6.alpha.,7.alpha.(E)]-(.+-.)-
Alternate Name(s) Ethyl (2E)-3-{(1S,6R,7S)-3-[(benzyloxy)methyl]-7-methylbicyclo[4.1.0]hept-2-en-7-yl}-2-propenoate Ethyl (E)-3-[(1.alpha.,6.alpha.,7.alpha.)-3-[(benzyloxy)methyl]-7-methylbicyclo[4.1.0]hept-2-en-7-yl]-2-propenoate
CAS Registry Number 116150-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-3-24-20(22)11-12-21(2)18-10-9-17(13-19(18)21)15-23-14-16-7-5-4-6-8-16/h4-8,11-13,18-19H,3,9-10,14-15H2,1-2H3/b12-11+/t18-,19+,21+/m1/s1
InChIKey GFKPFWFKTWDPKC-CEDMXCAPSA-N
Molecular Weight 326.436 g/mol
SMILES [C@@]1([C@]2(C=C(COCc3ccccc3)CC[C@@]12[H])[H])(\C=C\C(=O)OCC)C
SPLASH splash10-00l6-9820000000-78f0bababb8f45c6d9ff
Source of Spectrum J-53-4882-15
Wiley ID 1325106