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7-[(p-bromobenzyl)ureido]-7,8-dihydro-.alpha.-bisabolene
SpectraBase Compound ID AQj0eLLB6ED
InChI InChI=1S/C23H33BrN2O/c1-16(2)22(14-7-18(4)20-10-5-17(3)6-11-20)26-23(27)25-15-19-8-12-21(24)13-9-19/h5,7-9,12-13,16,20,22H,6,10-11,14-15H2,1-4H3,(H2,25,26,27)/b18-7+
InChIKey KOWWLMOLEXZDJP-CNHKJKLMSA-N
Mol Weight 433.4 g/mol
Molecular Formula C23H33BrN2O
Exact Mass 432.177627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4v6M34xsEf0
Name 7-[(p-bromobenzyl)ureido]-7,8-dihydro-.alpha.-bisabolene
Alternate Name(s) 7-[(p-bromrbenzyl)ureido]-7,8-dihydro-.alpha.-bisadolene N-(4-bromobenzyl)-N'-[(3E)-1-isopropyl-4-(4-methyl-3-cyclohexen-1-yl)-3-pentenyl]urea
CAS Registry Number 105281-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33BrN2O
InChI InChI=1S/C23H33BrN2O/c1-16(2)22(14-7-18(4)20-10-5-17(3)6-11-20)26-23(27)25-15-19-8-12-21(24)13-9-19/h5,7-9,12-13,16,20,22H,6,10-11,14-15H2,1-4H3,(H2,25,26,27)/b18-7+
InChIKey KOWWLMOLEXZDJP-CNHKJKLMSA-N
Molecular Weight 433.434 g/mol
SMILES N(C(NCc1ccc(cc1)Br)=O)C(C\C=C\(C1CC=C(CC1)C)C)C(C)C
SPLASH splash10-005i-0934300000-f6241b0c369d2c027f89
Source of Spectrum J-51-5139-10
Wiley ID 1382248