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(1a.alpha.,2.beta.,2a.beta.,3.beta.,6.beta.,6a.beta.,6b.alpha.)-1,1a,2,2a,3,6,6a,6b-octahydro-7,7-dimethoxy-3,6-methanocyclopropa[a]inden-2-yl 4-nitrobenzoate

View entire compound with spectra: 1 MS (GC)

(1a.alpha.,2.beta.,2a.beta.,3.beta.,6.beta.,6a.beta.,6b.alpha.)-1,1a,2,2a,3,6,6a,6b-octahydro-7,7-dimethoxy-3,6-methanocyclopropa[a]inden-2-yl 4-nitrobenzoate
SpectraBase Compound ID ECTvNz1sKHl
InChI InChI=1S/C20H21NO6/c1-25-20(26-2)14-7-8-15(20)17-16(14)12-9-13(12)18(17)27-19(22)10-3-5-11(6-4-10)21(23)24/h3-8,12-18H,9H2,1-2H3/t12-,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey YPVALFCTQLCZTN-NDVFFRQXSA-N
Mol Weight 371.39 g/mol
Molecular Formula C20H21NO6
Exact Mass 371.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JXpf8pM5UB
Name (1a.alpha.,2.beta.,2a.beta.,3.beta.,6.beta.,6a.beta.,6b.alpha.)-1,1a,2,2a,3,6,6a,6b-octahydro-7,7-dimethoxy-3,6-methanocyclopropa[a]inden-2-yl 4-nitrobenzoate
CAS Registry Number 115408-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO6
InChI InChI=1S/C20H21NO6/c1-25-20(26-2)14-7-8-15(20)17-16(14)12-9-13(12)18(17)27-19(22)10-3-5-11(6-4-10)21(23)24/h3-8,12-18H,9H2,1-2H3/t12-,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey YPVALFCTQLCZTN-NDVFFRQXSA-N
Molecular Weight 371.389 g/mol
SMILES [C@]12([C@@]([C@@](OC(c3ccc(N(=O)=O)cc3)=O)([C@@]3([C@]4(C=C[C@](C4(OC)OC)([C@]23[H])[H])[H])[H])[H])([H])C1)[H]
SPLASH splash10-0udi-3911000000-bbe4cb6af7332346fadc
Source of Spectrum K-121-1673-23
Synonyms (1R,2R,3R,5R,6R,7S,8S)-11,11-dimethoxytetracyclo[6.2.1.0(2,7).0(3,5)]undec-9-en-6-yl 4-nitrobenzoate
Wiley ID 1354957