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2-(13-{[1-Hydroxymethyl-2-methyl-propylimino]-methyl}-tricyclo[8.2.2.2(4,7)]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-yl)-phenol

View entire compound with spectra: 2 MS (GC)

2-(13-{[1-Hydroxymethyl-2-methyl-propylimino]-methyl}-tricyclo[8.2.2.2(4,7)]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-yl)-phenol
SpectraBase Compound ID fsjJbv6LIS
InChI InChI=1S/C28H31NO2/c1-19(2)27(18-30)29-17-24-15-20-7-8-21-10-12-23(14-13-22(24)11-9-20)26(16-21)25-5-3-4-6-28(25)31/h3-6,9-12,15-17,19,27,30-31H,7-8,13-14,18H2,1-2H3/t27-/m1/s1
InChIKey LEQNROHSVINTTA-HHHXNRCGSA-N
Mol Weight 413.56 g/mol
Molecular Formula C28H31NO2
Exact Mass 413.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5X2KUouWN6i
Name 2-(13-{[1-Hydroxymethyl-2-methyl-propylimino]-methyl}-tricyclo[8.2.2.2(4,7)]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaen-5-yl)-phenol
Alternate Name(s) (S)-2-(4(2)-(((1-hydroxy-3-methylbutan-2-yl)imino)methyl)-1,4(1,4)-dibenzenacyclohexaphane-1(2)-yl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31NO2
InChI InChI=1S/C28H31NO2/c1-19(2)27(18-30)29-17-24-15-20-7-8-21-10-12-23(14-13-22(24)11-9-20)26(16-21)25-5-3-4-6-28(25)31/h3-6,9-12,15-17,19,27,30-31H,7-8,13-14,18H2,1-2H3/t27-/m1/s1
InChIKey LEQNROHSVINTTA-HHHXNRCGSA-N
Literature Reference DOI 10.1002/ijch.201100096
Molecular Weight 413.561 g/mol
SMILES Oc1c(-c2c3ccc(CCc4ccc(c(C=N[C@](CO)(C(C)C)[H])c4)CC3)c2)cccc1
SPLASH splash10-00lr-0931100000-06f97017624cb9c106b3
Source of Spectrum TI-52-167-(Sp,Sc)_28
Wiley ID 1808426