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N'-((R,2E,4E)-1-((S)-6-methoxy-2,5,7,8-tetramethylchroman-2-yl)-4,8,12-trimethyltridec-4-en-2-ylidene)-4-methylbenzenesulfonohydrazide
SpectraBase Compound ID 8Tmdjckvi52
InChI InChI=1S/C37H56N2O4S/c1-25(2)13-11-14-26(3)15-12-16-28(5)23-32(38-39-44(40,41)33-19-17-27(4)18-20-33)24-37(9)22-21-34-31(8)35(42-10)29(6)30(7)36(34)43-37/h16-20,25-26,39H,11-15,21-24H2,1-10H3/b28-16+,38-32+/t26-,37+/m1/s1
InChIKey XPBIBHFSWFILFO-ZTEYQOPGSA-N
Mol Weight 624.9 g/mol
Molecular Formula C37H56N2O4S
Exact Mass 624.396079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hjo6MyCR3XH
Name N'-((R,2E,4E)-1-((S)-6-methoxy-2,5,7,8-tetramethylchroman-2-yl)-4,8,12-trimethyltridec-4-en-2-ylidene)-4-methylbenzenesulfonohydrazide
Appearance Colorless oil
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 624.396079461 u
Formula C37H56N2O4S
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C37H56N2O4S/c1-25(2)13-11-14-26(3)15-12-16-28(5)23-32(38-39-44(40,41)33-19-17-27(4)18-20-33)24-37(9)22-21-34-31(8)35(42-10)29(6)30(7)36(34)43-37/h16-20,25-26,39H,11-15,21-24H2,1-10H3/b28-16+,38-32+/t26-,37+/m1/s1
InChIKey XPBIBHFSWFILFO-ZTEYQOPGSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 624.925 g/mol
Quality 39
SMILES N(\N=C\(C[C@]1(OC2=C(C(=C(OC)C(=C2C)C)C)CC1)C)C\C(=C\CC[C@@](CCCC(C)C)(C)[H])C)S(C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-014i-0090000000-0a25074657b1b8442c95
Source of Spectrum QE-27-SM62-S19 (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.22 (SiO2, cHex/EtOAc, 10:1)
Wiley ID 1902020