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7-Tigloyl-9-(2'-methylbutyryl)-Retrocenine
SpectraBase Compound ID 1c4uBSWJKUV
InChI InChI=1S/C18H27NO4/c1-6-13(4)17(21)22-11-14-7-9-19-10-8-15(18(14,19)5)23-16(20)12(2)3/h7,13,15H,2,6,8-11H2,1,3-5H3/t13?,15-,18-/m1/s1
InChIKey XYOZRBQMDNSHGT-HQKHBYFDSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4E08fpOa5kW
Name 7-Tigloyl-9-(2'-methylbutyryl)-Retrocenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-6-13(4)17(21)22-11-14-7-9-19-10-8-15(18(14,19)5)23-16(20)12(2)3/h7,13,15H,2,6,8-11H2,1,3-5H3/t13?,15-,18-/m1/s1
InChIKey XYOZRBQMDNSHGT-HQKHBYFDSA-N
Molecular Weight 321.417 g/mol
SMILES [C@@]12([C@](OC(C(=C)C)=O)(CCN2CC=C1COC(=O)C(CC)C)[H])C
SPLASH splash10-00dl-9850000000-a22d55311b8c4575821b
Source of Spectrum G4-59-311-13
Wiley ID 1606218