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JXQLRm8KSHw
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JXQLRm8KSHw
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Benzyl 4-(4'-benzyloxy-3',5'-dichloro-2'-methoxy-6'-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoate
SpectraBase Compound ID HMzjo3p42MU
InChI InChI=1S/C40H44Cl2O7/c1-5-7-11-21-29-23-30(24-32(45-3)33(29)39(43)48-26-28-19-15-10-16-20-28)49-40(44)34-31(22-12-8-6-2)35(41)38(36(42)37(34)46-4)47-25-27-17-13-9-14-18-27/h9-10,13-20,23-24H,5-8,11-12,21-22,25-26H2,1-4H3
InChIKey NSAIDUXUIIQBBH-UHFFFAOYSA-N
Mol Weight 707.7 g/mol
Molecular Formula C40H44Cl2O7
Exact Mass 706.246409 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXQLRm8KSHw
Name benzyl 4-(4'-benzyloxy-3',5'-dichloro-2'-methoxy-6'-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H44Cl2O7
InChI InChI=1S/C40H44Cl2O7/c1-5-7-11-21-29-23-30(24-32(45-3)33(29)39(43)48-26-28-19-15-10-16-20-28)49-40(44)34-31(22-12-8-6-2)35(41)38(36(42)37(34)46-4)47-25-27-17-13-9-14-18-27/h9-10,13-20,23-24H,5-8,11-12,21-22,25-26H2,1-4H3
InChIKey NSAIDUXUIIQBBH-UHFFFAOYSA-N
Molecular Weight 707.691 g/mol
SMILES c1(C(Oc2cc(OC)c(c(c2)CCCCC)C(OCc2ccccc2)=O)=O)c(c(Cl)c(c(c1CCCCC)Cl)OCc1ccccc1)OC
SPLASH splash10-0006-9000000000-aa95b7f04249dd483912
Source of Spectrum B-50-974-23
Synonyms 4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 4-(benzyloxy)-3,5-dichloro-2-methoxy-6-pentylbenzoate Benzyl 3,5-dichloro-2',2-'-di-O-methylanziate Benzyl 4-(3',5'-dichloro-4'-benzyloxy-2'-methoxy-6'-pentylbenzoyloxy)-2-methoxy-6-pentylbenzoate
Wiley ID 745344
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