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exo-(1SR,3RS,4RS)-3-(3'-Bromopropyl)-1,3,4-trimethylbicyclo[2.2.2]oct-5-en-2-one
SpectraBase Compound ID LdRPESttCPA
InChI InChI=1S/C14H21BrO/c1-12-6-8-13(2,9-7-12)14(3,11(12)16)5-4-10-15/h6,8H,4-5,7,9-10H2,1-3H3
InChIKey JLLQKHCNXUALEB-UHFFFAOYSA-N
Mol Weight 285.23 g/mol
Molecular Formula C14H21BrO
Exact Mass 284.077578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VH5KvmqWW
Name exo-(1SR,3RS,4RS)-3-(3'-Bromopropyl)-1,3,4-trimethylbicyclo[2.2.2]oct-5-en-2-one
Alternate Name(s) 3-(3-bromopropyl)-1,3,4-trimethylbicyclo[2.2.2]oct-5-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21BrO
InChI InChI=1S/C14H21BrO/c1-12-6-8-13(2,9-7-12)14(3,11(12)16)5-4-10-15/h6,8H,4-5,7,9-10H2,1-3H3
InChIKey JLLQKHCNXUALEB-UHFFFAOYSA-N
Molecular Weight 285.225 g/mol
SMILES C1(C(C2(C)CCC1(C=C2)C)=O)(CCCBr)C
SPLASH splash10-0a4l-7900000000-7cb0781aeed5afe32dae
Source of Spectrum F-49-1972-3
Wiley ID 1287662