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9-O-Benzyl-N-butylcaryachine
SpectraBase Compound ID 8ikBCBeABlq
InChI InChI=1S/C29H31NO4/c1-3-4-10-30-24-12-21-14-28-29(34-18-33-28)16-23(21)25(30)11-20-13-27(26(31-2)15-22(20)24)32-17-19-8-6-5-7-9-19/h5-9,13-16,24-25H,3-4,10-12,17-18H2,1-2H3/t24-,25-/m0/s1
InChIKey YVZNGUBREZOYSZ-DQEYMECFSA-N
Mol Weight 457.57 g/mol
Molecular Formula C29H31NO4
Exact Mass 457.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WhdVAU0Bok
Name 9-O-Benzyl-N-butylcaryachine
Alternate Name(s) 16-(benzyloxy)-20-butyl-15-methoxy-5,7-dioxa-20-azapentacyclo[10.7.1.0(2,10).0(4,8).0(13,18)]icosa-2(10),3,8,13,15,17-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31NO4
InChI InChI=1S/C29H31NO4/c1-3-4-10-30-24-12-21-14-28-29(34-18-33-28)16-23(21)25(30)11-20-13-27(26(31-2)15-22(20)24)32-17-19-8-6-5-7-9-19/h5-9,13-16,24-25H,3-4,10-12,17-18H2,1-2H3/t24-,25-/m0/s1
InChIKey YVZNGUBREZOYSZ-DQEYMECFSA-N
Molecular Weight 457.570 g/mol
SMILES [C@@]12(N([C@@](Cc3cc(c(cc23)OC)OCc2ccccc2)(c2c(cc3c(c2)OCO3)C1)[H])CCCC)[H]
SPLASH splash10-0a4i-0001900000-89cac9a8cebb92f76c19
Source of Spectrum H1-43-1410-4
Wiley ID 757829