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Methyl (3aR,9R,9aS)-3a-Methoxy-9-(nitromethyl)-1,2,3,3a,9,9a-hexahydrocyclopenta[b]chromene-9a-carboxylate
SpectraBase Compound ID 5H2sndRhaBV
InChI InChI=1S/C16H19NO6/c1-21-14(18)15-8-5-9-16(15,22-2)23-13-7-4-3-6-11(13)12(15)10-17(19)20/h3-4,6-7,12H,5,8-10H2,1-2H3/t12-,15-,16-/m1/s1
InChIKey WSGLCEBQMCRJBI-DAXOMENPSA-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 7NMSrGdUZQd
Name Methyl (3aR,9R,9aS)-3a-Methoxy-9-(nitromethyl)-1,2,3,3a,9,9a-hexahydrocyclopenta[b]chromene-9a-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-21-14(18)15-8-5-9-16(15,22-2)23-13-7-4-3-6-11(13)12(15)10-17(19)20/h3-4,6-7,12H,5,8-10H2,1-2H3/t12-,15-,16-/m1/s1
InChIKey WSGLCEBQMCRJBI-DAXOMENPSA-N
Molecular Weight 321.329 g/mol
SMILES [C@]12([C@@](Oc3c([C@]2(CN(=O)=O)[H])cccc3)(OC)CCC1)C(=O)OC
SPLASH splash10-0abc-0960000000-ec9e268399a1d9a96123
Source of Spectrum F4-44-781-13
Wiley ID 1706959