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2-nor-thalmine

View entire compound with spectra: 1 MS (GC)

2-nor-thalmine
SpectraBase Compound ID 3VUleBUkb4l
InChI InChI=1S/C36H38N2O6/c1-38-14-12-25-27-20-34(42-4)35(39)36(25)44-33-19-26-23(18-31(33)41-3)11-13-37-28(26)15-22-7-10-30(40-2)32(17-22)43-24-8-5-21(6-9-24)16-29(27)38/h5-10,17-20,28-29,37,39H,11-16H2,1-4H3/t28-,29?/m0/s1
InChIKey NHMYHHBUVRHDCG-XLTVJXRZSA-N
Mol Weight 594.7 g/mol
Molecular Formula C36H38N2O6
Exact Mass 594.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wEyxxgWRJc
Name 2-nor-thalmine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O6
InChI InChI=1S/C36H38N2O6/c1-38-14-12-25-27-20-34(42-4)35(39)36(25)44-33-19-26-23(18-31(33)41-3)11-13-37-28(26)15-22-7-10-30(40-2)32(17-22)43-24-8-5-21(6-9-24)16-29(27)38/h5-10,17-20,28-29,37,39H,11-16H2,1-4H3/t28-,29?/m0/s1
InChIKey NHMYHHBUVRHDCG-XLTVJXRZSA-N
Molecular Weight 594.708 g/mol
SMILES N1CCc2c3cc(Oc4c(c(cc5C(Cc6ccc(Oc7cc(C[C@]13[H])ccc7OC)cc6)N(CCc45)C)OC)O)c(c2)OC
SPLASH splash10-014i-0009030000-59813274307c4f7bd090
Source of Spectrum X2-54-685-343
Wiley ID 1604124