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(1'R,4R,E)-2-Ethylidene-4-(nitromethyl)spiro[chroman-3,1'-cyclopentan]-2'-one
SpectraBase Compound ID 7abm4jSvyOO
InChI InChI=1S/C16H17NO4/c1-2-15-16(9-5-8-14(16)18)12(10-17(19)20)11-6-3-4-7-13(11)21-15/h2-4,6-7,12H,5,8-10H2,1H3/b15-2+/t12-,16+/m1/s1
InChIKey KEIGLLFNLWAGCF-XKOXXZNLSA-N
Mol Weight 287.31 g/mol
Molecular Formula C16H17NO4
Exact Mass 287.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aC5rRss2C
Name (1'R,4R,E)-2-Ethylidene-4-(nitromethyl)spiro[chroman-3,1'-cyclopentan]-2'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO4
InChI InChI=1S/C16H17NO4/c1-2-15-16(9-5-8-14(16)18)12(10-17(19)20)11-6-3-4-7-13(11)21-15/h2-4,6-7,12H,5,8-10H2,1H3/b15-2+/t12-,16+/m1/s1
InChIKey KEIGLLFNLWAGCF-XKOXXZNLSA-N
Molecular Weight 287.315 g/mol
SMILES [C@@]12(\C(Oc3c([C@]2(CN(=O)=O)[H])cccc3)=C/C)C(=O)CCC1
SPLASH splash10-004l-1490000000-168544a3042790162981
Source of Spectrum F4-44-780-8b
Wiley ID 1706917