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Bicyclo[2.2.1]hept-5-ene-2-acetic acid, .alpha.-oxo-3-(oxophenylethenyl)-, methyl ester, (exo,exo)-
SpectraBase Compound ID 6Ti4pm1p4l8
InChI InChI=1S/C18H16O4/c1-21-18(20)15(19)13-11-7-8-12(9-11)14(13)17-16(22-17)10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/t11-,12+,13-,14+/m1/s1
InChIKey PUNLIUVECBWAIE-RQJABVFESA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IluooMf2NH
Name Bicyclo[2.2.1]hept-5-ene-2-acetic acid, .alpha.-oxo-3-(oxophenylethenyl)-, methyl ester, (exo,exo)-
Alternate Name(s) Methyl oxo[3-(3-phenyl-2-oxirenyl)bicyclo[2.2.1]hept-5-en-2-yl]acetate
CAS Registry Number 115410-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4
InChI InChI=1S/C18H16O4/c1-21-18(20)15(19)13-11-7-8-12(9-11)14(13)17-16(22-17)10-5-3-2-4-6-10/h2-8,11-14H,9H2,1H3/t11-,12+,13-,14+/m1/s1
InChIKey PUNLIUVECBWAIE-RQJABVFESA-N
Molecular Weight 296.322 g/mol
SMILES C1(=C(c2ccccc2)O1)[C@@]1([C@@]([C@]2(C[C@@]1(C=C2)[H])[H])(C(C(=O)OC)=O)[H])[H]
SPLASH splash10-00yi-1940000000-86e198deba403ece07ea
Source of Spectrum K-123-2036-12
Wiley ID 1299280