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3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl Diethyl Phosphate
SpectraBase Compound ID 48qXoyzhGwv
InChI InChI=1S/C21H29O5P/c1-6-24-27(23,25-7-2)26-19-17(18(22)15-11-9-8-10-12-15)16-13-14-21(19,5)20(16,3)4/h8-12,16H,6-7,13-14H2,1-5H3/t16-,21+/m0/s1
InChIKey IVXPCQGXSVMECP-HRAATJIYSA-N
Mol Weight 392.43 g/mol
Molecular Formula C21H29O5P
Exact Mass 392.175261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6apreaCS15w
Name 3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl Diethyl Phosphate
Alternate Name(s) (1S,4S)-3-benzoyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl diethyl phosphate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29O5P
InChI InChI=1S/C21H29O5P/c1-6-24-27(23,25-7-2)26-19-17(18(22)15-11-9-8-10-12-15)16-13-14-21(19,5)20(16,3)4/h8-12,16H,6-7,13-14H2,1-5H3/t16-,21+/m0/s1
InChIKey IVXPCQGXSVMECP-HRAATJIYSA-N
Literature Reference DOI 10.1021/jo100763f
Molecular Weight 392.432 g/mol
SMILES CC1([C@@]2(CC[C@]1(C(=C2OP(OCC)(OCC)=O)C(=O)c1ccccc1)[H])C)C
SPLASH splash10-0a4i-2942000000-c7b8a4f39c8d74212ec0
Source of Spectrum J-75-4373-23c
Wiley ID 1746593