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Benzeneethanamine, 2-iodo-N-[2-[2-iodo-4-methoxy-5-(phenylmethoxy)phenyl]ethyl]-4-methoxy-5-(phenylmethoxy)-N-(phenylmethyl)-

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Benzeneethanamine, 2-iodo-N-[2-[2-iodo-4-methoxy-5-(phenylmethoxy)phenyl]ethyl]-4-methoxy-5-(phenylmethoxy)-N-(phenylmethyl)-
SpectraBase Compound ID 8ifOJmzTbRY
InChI InChI=1S/C39H39I2NO4/c1-43-36-24-34(40)32(22-38(36)45-27-30-14-8-4-9-15-30)18-20-42(26-29-12-6-3-7-13-29)21-19-33-23-39(37(44-2)25-35(33)41)46-28-31-16-10-5-11-17-31/h3-17,22-25H,18-21,26-28H2,1-2H3
InChIKey PGHDMESTPVLQKS-UHFFFAOYSA-N
Mol Weight 839.6 g/mol
Molecular Formula C39H39I2NO4
Exact Mass 839.096849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AdduHWFuNh2
Name Benzeneethanamine, 2-iodo-N-[2-[2-iodo-4-methoxy-5-(phenylmethoxy)phenyl]ethyl]-4-methoxy-5-(phenylmethoxy)-N-(phenylmethyl)-
CAS Registry Number 99896-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H39I2NO4
InChI InChI=1S/C39H39I2NO4/c1-43-36-24-34(40)32(22-38(36)45-27-30-14-8-4-9-15-30)18-20-42(26-29-12-6-3-7-13-29)21-19-33-23-39(37(44-2)25-35(33)41)46-28-31-16-10-5-11-17-31/h3-17,22-25H,18-21,26-28H2,1-2H3
InChIKey PGHDMESTPVLQKS-UHFFFAOYSA-N
Molecular Weight 839.553 g/mol
SMILES c1c(c(CCN(Cc2ccccc2)CCc2c(cc(c(c2)OCc2ccccc2)OC)I)cc(c1OC)OCc1ccccc1)I
SPLASH splash10-08fr-0009100000-db46535ed00456dee2f1
Source of Spectrum B-38-553-23
Synonyms benzylbis({2-[5-(benzyloxy)-2-iodo-4-methoxyphenyl]ethyl}))amine N-Benzyl-bis[2-(5-benzyloxy-2-iodo-4-methoxyphenyl)ethyl]amine
Wiley ID 1417611