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3,6-Ditigloyloxy-7-hydroxytropane
SpectraBase Compound ID 8JG9EFqc7Hz
InChI InChI=1S/C18H27NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6-7,12-16,20H,8-9H2,1-5H3/b10-6+,11-7+
InChIKey FRQMNJFBOJQRAQ-JMQWPVDRSA-N
Mol Weight 337.42 g/mol
Molecular Formula C18H27NO5
Exact Mass 337.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1VLCwT1nfT
Name 3,6-Ditigloyloxy-7-hydroxytropane
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO5
GC Oven Program Oven temp 300oC, Split injector
InChI InChI=1S/C18H27NO5/c1-6-10(3)17(21)23-12-8-13-15(20)16(14(9-12)19(13)5)24-18(22)11(4)7-2/h6-7,12-16,20H,8-9H2,1-5H3/b10-6+,11-7+
InChIKey FRQMNJFBOJQRAQ-JMQWPVDRSA-N
Instrument Name GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2021.101285
Molecular Weight 337.416 g/mol
SMILES OC1C(C2CC(CC1N2C)OC(\C(C)=C\C)=O)OC(\C(=C\C)C)=O
SPLASH splash10-000f-9400000000-1c972b8ac36150b062d8
Source of Spectrum SCS-25-SM11-Fig S1.44
Wiley ID 1876941