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Isoquinoline, 1,2,3,4-tetrahydro-6,7-bis(phenylmethoxy)-1-[2-[4-(phenylmethoxy)phenyl]ethyl]-
SpectraBase Compound ID HZfwhDrw5lB
InChI InChI=1S/C38H37NO3/c1-4-10-30(11-5-1)26-40-34-19-16-29(17-20-34)18-21-36-35-25-38(42-28-32-14-8-3-9-15-32)37(24-33(35)22-23-39-36)41-27-31-12-6-2-7-13-31/h1-17,19-20,24-25,36,39H,18,21-23,26-28H2
InChIKey WJLQMDZDWISBBO-UHFFFAOYSA-N
Mol Weight 555.7 g/mol
Molecular Formula C38H37NO3
Exact Mass 555.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKCjXIMTn1W
Name Isoquinoline, 1,2,3,4-tetrahydro-6,7-bis(phenylmethoxy)-1-[2-[4-(phenylmethoxy)phenyl]ethyl]-
CAS Registry Number 131946-64-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H37NO3
InChI InChI=1S/C38H37NO3/c1-4-10-30(11-5-1)26-40-34-19-16-29(17-20-34)18-21-36-35-25-38(42-28-32-14-8-3-9-15-32)37(24-33(35)22-23-39-36)41-27-31-12-6-2-7-13-31/h1-17,19-20,24-25,36,39H,18,21-23,26-28H2
InChIKey WJLQMDZDWISBBO-UHFFFAOYSA-N
Molecular Weight 555.718 g/mol
SMILES N1CCc2cc(c(cc2C1CCc1ccc(OCc2ccccc2)cc1)OCc1ccccc1)OCc1ccccc1
SPLASH splash10-0006-9001000000-1bd8d4a092b34b522e84
Source of Spectrum F-46-7133-0
Synonyms 1-[2-(4-benzyloxyphenyl)ethyl]-6,7-dibenzyloxy-1,2,3,4 tetrahydroisoquinoline 6,7-bis(benzyloxy)-1-{2-[4-(benzyloxy)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinoline
Wiley ID 1406315