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1-(t-Butyl) 4-Isopropyl 2-[4'-(Benzyloxy)-3'-methoxybenzyl]-3-hydroxybutanedioate
SpectraBase Compound ID F2bmO0bJWmB
InChI InChI=1S/C26H34O7/c1-17(2)32-25(29)23(27)20(24(28)33-26(3,4)5)14-19-12-13-21(22(15-19)30-6)31-16-18-10-8-7-9-11-18/h7-13,15,17,20,23,27H,14,16H2,1-6H3
InChIKey NNZAYVCKZAAXSW-UHFFFAOYSA-N
Mol Weight 458.6 g/mol
Molecular Formula C26H34O7
Exact Mass 458.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gTHxoFUsLU
Name 1-(t-Butyl) 4-Isopropyl 2-[4'-(Benzyloxy)-3'-methoxybenzyl]-3-hydroxybutanedioate
Alternate Name(s) 1-(t-Butyl) 4-Isopropyl 2-[4'-(benzyloxy)-3'-methoxybenzyl]-3-hydroxybutane-1,4-dioate 1-tert-Butyl 4-isopropyl 2-[4-(benzyloxy)-3-methoxybenzyl]-3-hydroxysuccinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O7
InChI InChI=1S/C26H34O7/c1-17(2)32-25(29)23(27)20(24(28)33-26(3,4)5)14-19-12-13-21(22(15-19)30-6)31-16-18-10-8-7-9-11-18/h7-13,15,17,20,23,27H,14,16H2,1-6H3
InChIKey NNZAYVCKZAAXSW-UHFFFAOYSA-N
Molecular Weight 458.551 g/mol
SMILES OC(C(OC(C)C)=O)C(C(OC(C)(C)C)=O)Cc1cc(OC)c(cc1)OCc1ccccc1
SPLASH splash10-0a4l-9020400000-73223d8436f51c96aa5e
Source of Spectrum H-85-4227-18
Wiley ID 1525116