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Vallapin
SpectraBase Compound ID AH565nI1hkx
InChI InChI=1S/C16H18O4/c1-7-5-11-10(6-12(7)19-4)8(2)14(17)15-13(11)9(3)16(18)20-15/h5-6,8,14-15,17H,1-4H3/t8-,14+,15+/m0/s1
InChIKey AJHWXDOGSHYCBR-PVJOKMEKSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SvKHBkQeGV
Name Vallapin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-7-5-11-10(6-12(7)19-4)8(2)14(17)15-13(11)9(3)16(18)20-15/h5-6,8,14-15,17H,1-4H3/t8-,14+,15+/m0/s1
InChIKey AJHWXDOGSHYCBR-PVJOKMEKSA-N
Molecular Weight 274.316 g/mol
SMILES O[C@]1([C@]2(C(c3c(cc(c(c3)C)OC)[C@@]1(C)[H])=C(C(=O)O2)C)[H])[H]
SPLASH splash10-00fr-0090000000-84681b3b2e2c33953b62
Source of Spectrum X2-54-289-1
Wiley ID 1603880