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(1S,2S,6R,8R,10R,11S)-10-(3-Chloroperoxybrnzoyl)-11-isopropyl-6-methyl-5-methylene-9-oxatricyclo[6.2.1.0(2,6)]undercan-7-one

View entire compound with spectra: 1 MS (GC)

(1S,2S,6R,8R,10R,11S)-10-(3-Chloroperoxybrnzoyl)-11-isopropyl-6-methyl-5-methylene-9-oxatricyclo[6.2.1.0(2,6)]undercan-7-one
SpectraBase Compound ID 8eKznsmiHD8
InChI InChI=1S/C22H25ClO5/c1-11(2)16-17-15-9-8-12(3)22(15,4)19(24)18(16)26-21(17)28-27-20(25)13-6-5-7-14(23)10-13/h5-7,10-11,15-18,21H,3,8-9H2,1-2,4H3/t15-,16-,17+,18+,21+,22-/m0/s1
InChIKey AWUXOGSRCCVLMV-ZCPVAAPISA-N
Mol Weight 404.89 g/mol
Molecular Formula C22H25ClO5
Exact Mass 404.139052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L71rR7f5LqL
Name (1S,2S,6R,8R,10R,11S)-10-(3-Chloroperoxybrnzoyl)-11-isopropyl-6-methyl-5-methylene-9-oxatricyclo[6.2.1.0(2,6)]undercan-7-one
Alternate Name(s) (1S,2S,6R,8R,10R,11S)-11-isopropyl-6-methyl-5-methylene-7-oxo-9-oxatricyclo[6.2.1.0(2,6)]undec-10-yl 3-chlorobenzenecarboperoxoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25ClO5
InChI InChI=1S/C22H25ClO5/c1-11(2)16-17-15-9-8-12(3)22(15,4)19(24)18(16)26-21(17)28-27-20(25)13-6-5-7-14(23)10-13/h5-7,10-11,15-18,21H,3,8-9H2,1-2,4H3/t15-,16-,17+,18+,21+,22-/m0/s1
InChIKey AWUXOGSRCCVLMV-ZCPVAAPISA-N
Molecular Weight 404.890 g/mol
SMILES [C@@]12(C([C@@]3(O[C@@]([C@]([C@@]2(CCC1=C)[H])([C@@]3(C(C)C)[H])[H])(OOC(c1cc(Cl)ccc1)=O)[H])[H])=O)C
SPLASH splash10-002f-9310000000-aabe12af0c227b6b2cd8
Source of Spectrum C-119-4134-13
Wiley ID 760355