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(S)-Methyl [2-(1',3'-benzodioxol-5'-yl)-2-nitrocyclohexyl]acetate

View entire compound with spectra: 1 MS (GC)

(S)-Methyl [2-(1',3'-benzodioxol-5'-yl)-2-nitrocyclohexyl]acetate
SpectraBase Compound ID 9aFDRMrgmgf
InChI InChI=1S/C16H19NO6/c1-21-15(18)9-11-4-2-3-7-16(11,17(19)20)12-5-6-13-14(8-12)23-10-22-13/h5-6,8,11H,2-4,7,9-10H2,1H3/t11?,16-/m0/s1
InChIKey SHGLLLYEKXQMQU-NBFOKTCDSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6a3yGR4ektw
Name (S)-Methyl [2-(1',3'-benzodioxol-5'-yl)-2-nitrocyclohexyl]acetate
Alternate Name(s) Methyl[(2S)-2-(1,3-benzodioxol-5-yl)-2-nitrocyclohexyl]acetate Methyl[2-(1',3'-benzodioxol-5'-yl)-2-nitrocyclohexyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-21-15(18)9-11-4-2-3-7-16(11,17(19)20)12-5-6-13-14(8-12)23-10-22-13/h5-6,8,11H,2-4,7,9-10H2,1H3/t11?,16-/m0/s1
InChIKey SHGLLLYEKXQMQU-NBFOKTCDSA-N
Molecular Weight 321.329 g/mol
SMILES [C@@]1(N(=O)=O)(c2cc3OCOc3cc2)C(CC(=O)OC)CCCC1
SPLASH splash10-002f-0090000000-baa902342c13e6863346
Source of Spectrum U1-1999-914-26
Wiley ID 752568