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4a-(tert-Butoxycarbonyl)-5-methoxy-2-(4'-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[b]pyran-4,7-dione
SpectraBase Compound ID 2PfxOriB9Vt
InChI InChI=1S/C22H26O7/c1-21(2,3)29-20(25)22-17(24)12-16(13-6-8-15(26-4)9-7-13)28-19(22)11-14(23)10-18(22)27-5/h6-9,12,18-19H,10-11H2,1-5H3
InChIKey UUFSHBWQORPGTF-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Vdkv2IYfru
Name 4a-(tert-Butoxycarbonyl)-5-methoxy-2-(4'-methoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[b]pyran-4,7-dione
Alternate Name(s) tert-Butyl 5-methoxy-2-(4-methoxyphenyl)-4,7-dioxo-6,7,8,8a-tetrahydro-4H-chromene-4a(5H)-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-21(2,3)29-20(25)22-17(24)12-16(13-6-8-15(26-4)9-7-13)28-19(22)11-14(23)10-18(22)27-5/h6-9,12,18-19H,10-11H2,1-5H3
InChIKey UUFSHBWQORPGTF-UHFFFAOYSA-N
Molecular Weight 402.443 g/mol
SMILES C12(C(OC(C)(C)C)=O)C(C=C(OC2CC(CC1OC)=O)c1ccc(cc1)OC)=O
SPLASH splash10-004u-9832100000-5081bcddfb94f4b7a718
Source of Spectrum KC-0-167-16
Wiley ID 787140