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6-Hydroxy-5-nitro-9-(p-tolyl)-3-oxabicyclo[3.3.1]nonan-2-one
SpectraBase Compound ID 2JWZrpDQVJC
InChI InChI=1S/C15H17NO5/c1-9-2-4-10(5-3-9)13-11-6-7-12(17)15(13,16(19)20)8-21-14(11)18/h2-5,11-13,17H,6-8H2,1H3/t11-,12+,13?,15-/m1/s1
InChIKey ANHGBQQJBUJDRQ-RLCAUIQDSA-N
Mol Weight 291.3 g/mol
Molecular Formula C15H17NO5
Exact Mass 291.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ft5N4gZdqGR
Name 6-Hydroxy-5-nitro-9-(p-tolyl)-3-oxabicyclo[3.3.1]nonan-2-one
Alternate Name(s) (1S,5S,6R)-6-hydroxy-5-nitro-9-(p-tolyl)-3-oxabicyclo[3.3.1]nonan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO5
InChI InChI=1S/C15H17NO5/c1-9-2-4-10(5-3-9)13-11-6-7-12(17)15(13,16(19)20)8-21-14(11)18/h2-5,11-13,17H,6-8H2,1H3/t11-,12+,13?,15-/m1/s1
InChIKey ANHGBQQJBUJDRQ-RLCAUIQDSA-N
Molecular Weight 291.303 g/mol
SMILES O[C@@]1([C@@]2(N(=O)=O)C([C@@](CC1)(C(OC2)=O)[H])c1ccc(cc1)C)[H]
SPLASH splash10-0a4i-5930000000-5d7b9934ec94385bdb44
Source of Spectrum U1-2013-2476-4e
Wiley ID 1735963