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(S)-6-Methoxy-2,5,7,8-tetramethyl-2-((R,2E,4E)-4,8,12-trimethyl-trideca-2,4-dien-1-yl)chromane
SpectraBase Compound ID Jli65VKHi1x
InChI InChI=1S/C30H48O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h12,16-17,21-22H,10-11,13-15,18-20H2,1-9H3/b17-12+,23-16+/t22-,30-/m1/s1
InChIKey NCMYCGAWPHRZSR-GLDGVTMTSA-N
Mol Weight 440.7 g/mol
Molecular Formula C30H48O2
Exact Mass 440.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58ceOOiCF88
Name (S)-6-Methoxy-2,5,7,8-tetramethyl-2-((R,2E,4E)-4,8,12-trimethyl-trideca-2,4-dien-1-yl)chromane
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 440.365430784 u
Formula C30H48O2
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C30H48O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h12,16-17,21-22H,10-11,13-15,18-20H2,1-9H3/b17-12+,23-16+/t22-,30-/m1/s1
InChIKey NCMYCGAWPHRZSR-GLDGVTMTSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 440.712 g/mol
Quality 135
SMILES COC1=C(C2=C(C(=C1C)C)O[C@@](CC2)(C\C=C\C(=C\CC[C@@](CCCC(C)C)(C)[H])C)C)C
SPLASH splash10-014i-1090000000-bb00bc3b1b5448a24b7e
Source of Spectrum QE-27-SM63-S20 (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.67 (SiO2, cHex /EtOAc, 10:1)
Wiley ID 1902021