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N,N-Bis(dehydroabietyl)urea
SpectraBase Compound ID 2dP1YlqeVrm
InChI InChI=1S/C41H60N2O/c1-27(2)29-11-15-33-31(23-29)13-17-35-38(5,19-9-21-40(33,35)7)25-42-37(44)43-26-39(6)20-10-22-41(8)34-16-12-30(28(3)4)24-32(34)14-18-36(39)41/h11-12,15-16,23-24,27-28,35-36H,9-10,13-14,17-22,25-26H2,1-8H3,(H2,42,43,44)
InChIKey YXRMRGYSGBGAIQ-UHFFFAOYSA-N
Mol Weight 596.9 g/mol
Molecular Formula C41H60N2O
Exact Mass 596.470565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3Krso3Ufjf
Name N,N-Bis(dehydroabietyl)urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H60N2O
InChI InChI=1S/C41H60N2O/c1-27(2)29-11-15-33-31(23-29)13-17-35-38(5,19-9-21-40(33,35)7)25-42-37(44)43-26-39(6)20-10-22-41(8)34-16-12-30(28(3)4)24-32(34)14-18-36(39)41/h11-12,15-16,23-24,27-28,35-36H,9-10,13-14,17-22,25-26H2,1-8H3,(H2,42,43,44)
InChIKey YXRMRGYSGBGAIQ-UHFFFAOYSA-N
Molecular Weight 596.944 g/mol
SMILES N(C(NCC1(C2C(c3ccc(cc3CC2)C(C)C)(C)CCC1)C)=O)CC1(C2C(c3c(cc(cc3)C(C)C)CC2)(CCC1)C)C
SPLASH splash10-000i-9400000000-744aefbe3ef85b96b119
Source of Spectrum F-51-7899-17
Synonyms N,N'-diabieta-8,11,13-trien-18-ylurea
Wiley ID 792661