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9-O-Benzyl-N-propylcaryachine N-methobromide
SpectraBase Compound ID IKHGLDFdaZ2
InChI InChI=1S/C29H32NO4.BrH/c1-4-10-30(2)24-12-21-14-28-29(34-18-33-28)16-23(21)25(30)11-20-13-27(26(31-3)15-22(20)24)32-17-19-8-6-5-7-9-19;/h5-9,13-16,24-25H,4,10-12,17-18H2,1-3H3;1H/q+1;/p-1
InChIKey KKOYWZDCRPSEBH-UHFFFAOYSA-M
Mol Weight 538.5 g/mol
Molecular Formula C29H32BrNO4
Exact Mass 537.151472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcL1JZLu83Q
Name 9-O-Benzyl-N-propylcaryachine N-methobromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32BrNO4
InChI InChI=1S/C29H32NO4.BrH/c1-4-10-30(2)24-12-21-14-28-29(34-18-33-28)16-23(21)25(30)11-20-13-27(26(31-3)15-22(20)24)32-17-19-8-6-5-7-9-19;/h5-9,13-16,24-25H,4,10-12,17-18H2,1-3H3;1H/q+1;/p-1
InChIKey KKOYWZDCRPSEBH-UHFFFAOYSA-M
Molecular Weight 538.482 g/mol
SMILES [Br-].C12[N+](C(Cc3cc(c(cc23)OC)OCc2ccccc2)c2c(cc3c(c2)OCO3)C1)(CCC)C
SPLASH splash10-00kf-4290800000-22c1044e3186c72b97d6
Source of Spectrum H1-43-1410-0
Synonyms 16-(benzyloxy)-15-methoxy-20-methyl-20-propyl-5,7-dioxa-20-azoniapentacyclo[10.7.1.0(2,10).0(4,8).0(13,18)]icosa-2(10),3,8,13,15,17-hexaene bromide
Wiley ID 757830