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cis-exo-6-Bromo-2,3,3a,4,5,7a-hexahydro-3,3-dimethyl-1-[(p-nitrobenzoyl)oxy]-1H-indene
SpectraBase Compound ID 9PHU6VsiJTs
InChI InChI=1S/C18H20BrNO4/c1-18(2)10-16(14-9-12(19)5-8-15(14)18)24-17(21)11-3-6-13(7-4-11)20(22)23/h3-4,6-7,9,14-16H,5,8,10H2,1-2H3/t14?,15-,16+/m1/s1
InChIKey VSBGCVHYICCZBY-JAIYHHTPSA-N
Mol Weight 394.27 g/mol
Molecular Formula C18H20BrNO4
Exact Mass 393.057571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8LP7xZqEMw8
Name cis-exo-6-Bromo-2,3,3a,4,5,7a-hexahydro-3,3-dimethyl-1-[(p-nitrobenzoyl)oxy]-1H-indene
Alternate Name(s) (1S,3aR)-6-bromo-3,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20BrNO4
InChI InChI=1S/C18H20BrNO4/c1-18(2)10-16(14-9-12(19)5-8-15(14)18)24-17(21)11-3-6-13(7-4-11)20(22)23/h3-4,6-7,9,14-16H,5,8,10H2,1-2H3/t14?,15-,16+/m1/s1
InChIKey VSBGCVHYICCZBY-JAIYHHTPSA-N
Molecular Weight 394.265 g/mol
SMILES c1(N(=O)=O)ccc(C(O[C@@]2(C3[C@](CCC(=C3)Br)([H])C(C2)(C)C)[H])=O)cc1
SPLASH splash10-0h01-0790000000-6e669caffcd7a6ee718e
Source of Spectrum J-56-2836-27
Wiley ID 1366189