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3-Benzyloxycarbonyl-5-decyloxycarbonyl-1-benzoyl chloride
SpectraBase Compound ID 5zdbhOOxiPe
InChI InChI=1S/C26H31ClO5/c1-2-3-4-5-6-7-8-12-15-31-25(29)22-16-21(24(27)28)17-23(18-22)26(30)32-19-20-13-10-9-11-14-20/h9-11,13-14,16-18H,2-8,12,15,19H2,1H3
InChIKey IVOANCHUWSJIJR-UHFFFAOYSA-N
Mol Weight 458.98 g/mol
Molecular Formula C26H31ClO5
Exact Mass 458.186002 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hr3JdZ7hYjk
Name 3-Benzyloxycarbonyl-5-decyloxycarbonyl-1-benzoyl chloride
Alternate Name(s) 5-Chlorocarbonyl-isophthalic acid 1-benzyl ester 3-decyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31ClO5
InChI InChI=1S/C26H31ClO5/c1-2-3-4-5-6-7-8-12-15-31-25(29)22-16-21(24(27)28)17-23(18-22)26(30)32-19-20-13-10-9-11-14-20/h9-11,13-14,16-18H,2-8,12,15,19H2,1H3
InChIKey IVOANCHUWSJIJR-UHFFFAOYSA-N
Molecular Weight 458.982 g/mol
SMILES c1(C(OCc2ccccc2)=O)cc(C(=O)OCCCCCCCCCC)cc(c1)C(=O)Cl
SPLASH splash10-06di-0005900000-0928a0fc56e905dce603
Source of Spectrum F-67-5484-13
Wiley ID 1687091