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Domesticine
SpectraBase Compound ID 4v2rBIDwsai
InChI InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3
InChIKey ZMNSHBTYBQNBPV-UHFFFAOYSA-N
Mol Weight 325.36 g/mol
Molecular Formula C19H19NO4
Exact Mass 325.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOz6i3F1fdV
Name Domesticine
Alternate Name(s) CCRIS 3824
CAS Registry Number 476-71-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO4
InChI InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3
InChIKey ZMNSHBTYBQNBPV-UHFFFAOYSA-N
Molecular Weight 325.364 g/mol
SMILES Oc1c-2c3C(Cc4cc5OCOc5cc24)N(C)CCc3cc1OC
SPLASH splash10-00b9-0469000000-727452025521cba1ffe0
Source of Spectrum CD-94-0-0
Wiley ID 1324035