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(1'R,2'S,3'S,8'S,9'S,10'S)-9'-Chloro-13'-oxatetracyclo[8.2.1.0.(2',8').0(2',9')]tridec-11'-en-3'-yl p-nitrobenzoate
SpectraBase Compound ID 8blZZ9gzwMP
InChI InChI=1S/C19H18ClNO5/c20-19-13-3-1-2-4-14(18(13,19)15-9-10-16(19)25-15)26-17(22)11-5-7-12(8-6-11)21(23)24/h5-10,13-16H,1-4H2/t13-,14-,15+,16-,18+,19+/m0/s1
InChIKey AXWBIYQZKSSQSL-MUTRFQPFSA-N
Mol Weight 375.81 g/mol
Molecular Formula C19H18ClNO5
Exact Mass 375.08735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7e6KntPGjVk
Name (1'R,2'S,3'S,8'S,9'S,10'S)-9'-Chloro-13'-oxatetracyclo[8.2.1.0.(2',8').0(2',9')]tridec-11'-en-3'-yl p-nitrobenzoate
Alternate Name(s) (1R,2R,3S,8R,9R,10S)-9-chloro-13-oxatetracyclo[8.2.1.0(2,8).0(2,9)]tridec-11-en-3-yl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClNO5
InChI InChI=1S/C19H18ClNO5/c20-19-13-3-1-2-4-14(18(13,19)15-9-10-16(19)25-15)26-17(22)11-5-7-12(8-6-11)21(23)24/h5-10,13-16H,1-4H2/t13-,14-,15+,16-,18+,19+/m0/s1
InChIKey AXWBIYQZKSSQSL-MUTRFQPFSA-N
Molecular Weight 375.808 g/mol
SMILES [C@]123[C@@]([C@]4(O[C@@]3(C=C4)[H])[H])(Cl)[C@]2(CCCC[C@@]1(OC(c1ccc(N(=O)=O)cc1)=O)[H])[H]
SPLASH splash10-0ufr-0900000000-d0b5fccfda27168eb1df
Source of Spectrum KC-1993-960-67
Wiley ID 779426