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(1S,4S,5R)-Methyl 4-phenylbicyclo[3.2.1]octa-2,6-dien-2-carboxylate
SpectraBase Compound ID FwH0AIg5SWZ
InChI InChI=1S/C16H16O2/c1-18-16(17)15-10-14(11-5-3-2-4-6-11)12-7-8-13(15)9-12/h2-8,10,12-14H,9H2,1H3/t12-,13+,14-/m0/s1
InChIKey KARXNNOQAMJWNY-MJBXVCDLSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90nIS8nk3DO
Name (1S,4S,5R)-Methyl 4-phenylbicyclo[3.2.1]octa-2,6-dien-2-carboxylate
Alternate Name(s) Methyl (1S,4S,5R)-4-phenylbicyclo[3.2.1]octa-2,6-diene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-18-16(17)15-10-14(11-5-3-2-4-6-11)12-7-8-13(15)9-12/h2-8,10,12-14H,9H2,1H3/t12-,13+,14-/m0/s1
InChIKey KARXNNOQAMJWNY-MJBXVCDLSA-N
Molecular Weight 240.302 g/mol
SMILES C1(=C[C@@](c2ccccc2)([C@@]2(C[C@]1(C=C2)[H])[H])[H])C(=O)OC
SPLASH splash10-00l6-1980000000-7190311623cecbb4ccd3
Source of Spectrum C-120-3330-6
Wiley ID 760925