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Chillanamine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Chillanamine
SpectraBase Compound ID BlI2NgcSufg
InChI InChI=1S/C37H42N2O7/c1-38-14-12-23-18-34(44-4)31(40)20-27(23)29(38)16-22-6-9-26(10-7-22)46-37-33(43-3)11-8-25(36(37)42)17-30-28-21-32(41)35(45-5)19-24(28)13-15-39(30)2/h6-11,18-21,29-30,40-42H,12-17H2,1-5H3/t29-,30+/m1/s1
InChIKey MUFQYJDVPQWLSQ-IHLOFXLRSA-N
Mol Weight 626.8 g/mol
Molecular Formula C37H42N2O7
Exact Mass 626.299202 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IRswpZvZCoU
Name Chillanamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 626.299201693 u
Formula C37H42N2O7
InChI InChI=1S/C37H42N2O7/c1-38-14-12-23-18-34(44-4)31(40)20-27(23)29(38)16-22-6-9-26(10-7-22)46-37-33(43-3)11-8-25(36(37)42)17-30-28-21-32(41)35(45-5)19-24(28)13-15-39(30)2/h6-11,18-21,29-30,40-42H,12-17H2,1-5H3/t29-,30+/m1/s1
InChIKey MUFQYJDVPQWLSQ-IHLOFXLRSA-N
Molecular Weight 626.750 g/mol
SMILES C=12[C@@](N(C)CCC2=CC(=C(C1)O)OC)(CC=1C(=C(OC=2C=CC(C[C@@]3(C=4C(=CC(=C(C4)O)OC)CCN3C)[H])=CC2)C(=CC1)OC)O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950907