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Methyl 14-[phenylamino]-dehydroabietate
SpectraBase Compound ID 3PTXi6aAHjc
InChI InChI=1S/C27H35NO2/c1-18(2)20-12-14-22-21(24(20)28-19-10-7-6-8-11-19)13-15-23-26(22,3)16-9-17-27(23,4)25(29)30-5/h6-8,10-12,14,18,23,28H,9,13,15-17H2,1-5H3/t23?,26-,27-/m1/s1
InChIKey YQENRUVYCDNJEW-NQZVWMNDSA-N
Mol Weight 405.6 g/mol
Molecular Formula C27H35NO2
Exact Mass 405.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GfNnGO1oUZk
Name Methyl 14-[phenylamino]-dehydroabietate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35NO2
InChI InChI=1S/C27H35NO2/c1-18(2)20-12-14-22-21(24(20)28-19-10-7-6-8-11-19)13-15-23-26(22,3)16-9-17-27(23,4)25(29)30-5/h6-8,10-12,14,18,23,28H,9,13,15-17H2,1-5H3/t23?,26-,27-/m1/s1
InChIKey YQENRUVYCDNJEW-NQZVWMNDSA-N
Molecular Weight 405.582 g/mol
SMILES N(c1c2c([C@@]3(C([C@@](C(=O)OC)(C)CCC3)CC2)C)ccc1C(C)C)c1ccccc1
SPLASH splash10-0a4i-0003900000-54c6dd44f92a1b176f16
Source of Spectrum G4-64-766-22
Wiley ID 1609015