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benzyl 4-(4'-benzyloxy-2'-methoxy-6'-pentylbenzoyloxy)-6-heptyl-2-hydroxybenzoate

View entire compound with spectra: 1 MS (GC)

benzyl 4-(4'-benzyloxy-2'-methoxy-6'-pentylbenzoyloxy)-6-heptyl-2-hydroxybenzoate
SpectraBase Compound ID FcYocL1LtEZ
InChI InChI=1S/C41H48O7/c1-4-6-8-9-17-23-32-25-35(26-36(42)38(32)40(43)47-29-31-20-15-11-16-21-31)48-41(44)39-33(22-12-7-5-2)24-34(27-37(39)45-3)46-28-30-18-13-10-14-19-30/h10-11,13-16,18-21,24-27,42H,4-9,12,17,22-23,28-29H2,1-3H3
InChIKey KCTKZJULZQIWQG-UHFFFAOYSA-N
Mol Weight 652.8 g/mol
Molecular Formula C41H48O7
Exact Mass 652.340004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuygDG04YoS
Name benzyl 4-(4'-benzyloxy-2'-methoxy-6'-pentylbenzoyloxy)-6-heptyl-2-hydroxybenzoate
Alternate Name(s) 4-[(benzyloxy)carbonyl]-3-heptyl-5-hydroxyphenyl 4-(benzyloxy)-2-methoxy-6-pentylbenzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H48O7
InChI InChI=1S/C41H48O7/c1-4-6-8-9-17-23-32-25-35(26-36(42)38(32)40(43)47-29-31-20-15-11-16-21-31)48-41(44)39-33(22-12-7-5-2)24-34(27-37(39)45-3)46-28-30-18-13-10-14-19-30/h10-11,13-16,18-21,24-27,42H,4-9,12,17,22-23,28-29H2,1-3H3
InChIKey KCTKZJULZQIWQG-UHFFFAOYSA-N
Molecular Weight 652.828 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2CCCCC)OCc2ccccc2)OC)=O)cc(c1C(OCc1ccccc1)=O)CCCCCCC
SPLASH splash10-0006-9002000000-6c0a71a0b641fb32d269
Source of Spectrum B-47-1345-0
Wiley ID 1413239