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Securine D
SpectraBase Compound ID 9HoqHtyWmcm
InChI InChI=1S/C16H16O4/c1-17-14(11-6-4-3-5-7-11)12-8-9-13-16(15(12)18-2)20-10-19-13/h3-9,14H,10H2,1-2H3/t14-/m1/s1
InChIKey DWJMVCKRRXHWEC-CQSZACIVSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yyfpqd7a1q
Name Securine D
Appearance White amphorous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-17-14(11-6-4-3-5-7-11)12-8-9-13-16(15(12)18-2)20-10-19-13/h3-9,14H,10H2,1-2H3/t14-/m1/s1
InChIKey DWJMVCKRRXHWEC-CQSZACIVSA-N
Instrument Name Finnigan MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000094
Molecular Weight 272.300 g/mol
Optical Rotation [a]D22 = +64 (c = 0.1, MeOH)
Reported Formula C16H16O4
SMILES c1([C@](c2c(c3c(cc2)OCO3)OC)(OC)[H])ccccc1
SPLASH splash10-0006-3890000000-ad8380e4a4789a8df29f
Source of Spectrum CJC-38-SM34-4
Wiley ID 1856166