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Methyl (9R,9aS)-6-Methyl-9-(nitromethyl)-1,2,9,9a-tetrahydrocyclopenta[b]chromene-9a-carboxylate
SpectraBase Compound ID 3IMosIn0pF1
InChI InChI=1S/C16H17NO5/c1-10-5-6-11-12(9-17(19)20)16(15(18)21-2)7-3-4-14(16)22-13(11)8-10/h4-6,8,12H,3,7,9H2,1-2H3/t12-,16+/m1/s1
InChIKey SCMYTWIHICGDQY-WBMJQRKESA-N
Mol Weight 303.31 g/mol
Molecular Formula C16H17NO5
Exact Mass 303.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IK324BtfcqF
Name Methyl (9R,9aS)-6-Methyl-9-(nitromethyl)-1,2,9,9a-tetrahydrocyclopenta[b]chromene-9a-carboxylate
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Formula C16H17NO5
InChI InChI=1S/C16H17NO5/c1-10-5-6-11-12(9-17(19)20)16(15(18)21-2)7-3-4-14(16)22-13(11)8-10/h4-6,8,12H,3,7,9H2,1-2H3/t12-,16+/m1/s1
InChIKey SCMYTWIHICGDQY-WBMJQRKESA-N
Molecular Weight 303.314 g/mol
SMILES [C@]12(C(Oc3c([C@]2(CN(=O)=O)[H])ccc(C)c3)=CCC1)C(=O)OC
SPLASH splash10-03dk-0972000000-382a616718937b6cd67c
Source of Spectrum F4-44-778-5c
Wiley ID 1706927