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tert-butyl [2,5,7,8-tetramethyl-2-[(E)-2-nitrotridec-1-enyl]chroman-6-yl] carbonate
SpectraBase Compound ID 18OninIHPg8
InChI InChI=1S/C31H49NO6/c1-9-10-11-12-13-14-15-16-17-18-25(32(34)35)21-31(8)20-19-26-24(4)27(22(2)23(3)28(26)37-31)36-29(33)38-30(5,6)7/h21H,9-20H2,1-8H3/b25-21+
InChIKey QNVLQVWERNAPPR-NJNXFGOHSA-N
Mol Weight 531.7 g/mol
Molecular Formula C31H49NO6
Exact Mass 531.355988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9aHbGvtIFpx
Name tert-butyl [2,5,7,8-tetramethyl-2-[(E)-2-nitrotridec-1-enyl]chroman-6-yl] carbonate
Appearance Yellow oil
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Formula C31H49NO6
InChI InChI=1S/C31H49NO6/c1-9-10-11-12-13-14-15-16-17-18-25(32(34)35)21-31(8)20-19-26-24(4)27(22(2)23(3)28(26)37-31)36-29(33)38-30(5,6)7/h21H,9-20H2,1-8H3/b25-21+
InChIKey QNVLQVWERNAPPR-NJNXFGOHSA-N
Ionization Type EI
Molecular Weight 531.734 g/mol
Reported Formula C31H49NO6
SMILES c1(c(c(c2c(c1C)CCC(O2)(\C=C/([N+](=O)[O-])CCCCCCCCCCC)C)C)C)OC(OC(C)(C)C)=O
SPLASH splash10-053r-8300900000-f0b830444c373291d660
Source of Spectrum US20180057475A1
Wiley ID 1870644