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cis-(??)-1-Methoxycarbonylspirobrasinol methyl ether
SpectraBase Compound ID E3z4QS4etBf
InChI InChI=1S/C14H16N2O3S2/c1-18-11-14(8-15-12(20-3)21-14)9-6-4-5-7-10(9)16(11)13(17)19-2/h4-7,11H,8H2,1-3H3/t11-,14-/m0/s1
InChIKey ZFYRKBQAEZOYQV-FZMZJTMJSA-N
Mol Weight 324.41 g/mol
Molecular Formula C14H16N2O3S2
Exact Mass 324.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EuV0BWzdra
Name cis-(??)-1-Methoxycarbonylspirobrasinol methyl ether
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O3S2
InChI InChI=1S/C14H16N2O3S2/c1-18-11-14(8-15-12(20-3)21-14)9-6-4-5-7-10(9)16(11)13(17)19-2/h4-7,11H,8H2,1-3H3/t11-,14-/m0/s1
InChIKey ZFYRKBQAEZOYQV-FZMZJTMJSA-N
Instrument Name GS-MS Trio 1000 Fisons
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p009.958
Molecular Weight 324.413 g/mol
SMILES c12N([C@]([C@@]3(c2cccc1)CN=C(S3)SC)(OC)[H])C(OC)=O
SPLASH splash10-05fs-9034000000-c5d97c438dc5834eb075
Source of Spectrum ARK-2016-229-cis-(??)-32b
Thin-Layer Chromatography Rf = 0.38 (n-hexane/EtOAc 2:1)
Wiley ID 1840836