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8-Methyl-2-(4-nitrobezoyloxy)-13-oxa-tricyclo[7.3.2.0(2,7)]tetradecane-14-one
SpectraBase Compound ID 4LHmpqa72x3
InChI InChI=1S/C21H25NO6/c1-13-16-5-4-7-18(27-20(16)24)21(12-3-2-6-17(13)21)28-19(23)14-8-10-15(11-9-14)22(25)26/h8-11,13,16-18H,2-7,12H2,1H3/t13-,16+,17+,18-,21+/m1/s1
InChIKey BASZLUDQCNHHAW-QRKSXFBESA-N
Mol Weight 387.43 g/mol
Molecular Formula C21H25NO6
Exact Mass 387.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGzpiyayC6T
Name 8-Methyl-2-(4-nitrobezoyloxy)-13-oxa-tricyclo[7.3.2.0(2,7)]tetradecane-14-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO6
InChI InChI=1S/C21H25NO6/c1-13-16-5-4-7-18(27-20(16)24)21(12-3-2-6-17(13)21)28-19(23)14-8-10-15(11-9-14)22(25)26/h8-11,13,16-18H,2-7,12H2,1H3/t13-,16+,17+,18-,21+/m1/s1
InChIKey BASZLUDQCNHHAW-QRKSXFBESA-N
Literature Reference DOI 10.1002/ardp.19903230302
Molecular Weight 387.432 g/mol
SMILES [C@]12(OC([C@]([C@]([C@@]3(CCCC[C@@]23OC(c2ccc(cc2)[N+]([O-])=O)=O)[H])(C)[H])(CCC1)[H])=O)[H]
SPLASH splash10-0595-9440000000-ae644cb7f3aaa3f0927b
Source of Spectrum APC-323-129-10
Synonyms (4aS,5R,9S,10S,10aS)-10-methyl-11-oxodecahydro-5,9-(epoxymethano)benzo[8]annulen-4a(2H)-yl 4-nitrobenzoate
Wiley ID 1798957