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2-Oxomesembrenon
SpectraBase Compound ID 5gl0h7U5iGr
InChI InChI=1S/C17H19NO4/c1-18-15-9-12(19)6-7-17(15,10-16(18)20)11-4-5-13(21-2)14(8-11)22-3/h4-8,15H,9-10H2,1-3H3/t15-,17-/m0/s1
InChIKey VCWVGRIGGVJGKN-RDJZCZTQSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2U517g7dv2F
Name 2-Oxomesembrenon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-18-15-9-12(19)6-7-17(15,10-16(18)20)11-4-5-13(21-2)14(8-11)22-3/h4-8,15H,9-10H2,1-3H3/t15-,17-/m0/s1
InChIKey VCWVGRIGGVJGKN-RDJZCZTQSA-N
Ionization Type EI
Literature Reference DOI 10.1002/rcm.9116
Molecular Weight 301.342 g/mol
SMILES [C@@]12(C=CC(C[C@@]2(N(C(C1)=O)C)[H])=O)c1ccc(c(c1)OC)OC
SPLASH splash10-0wmi-1973000000-7951d8c05da96e2d86bf
Source of Spectrum RCM-35-SM7-17
Wiley ID 1852128