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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1,6-dipropyl-
SpectraBase Compound ID C12O0yYGF5i
InChI InChI=1S/C21H22O7/c1-4-6-11-8-12(26-3)9-15-17(11)21(25)28-16-10-14(22)18(20(23)24)13(7-5-2)19(16)27-15/h8-10,22H,4-7H2,1-3H3,(H,23,24)
InChIKey LWVHZHJOXWPWHN-UHFFFAOYSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsvkBtWTL35
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1,6-dipropyl-
Alternate Name(s) 8-Hydroxy-3-methoxy-1,6-dipropyl-11-oxo-1H-dibenzo[1,4]dioxepin-7-carboxylic acid 8-Hydroxy-3-methoxy-11-oxo-1,6-dipropyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid Divaronic acid 3-Hydroxy-9-methoxy-6-oxo-1,7-dipropyl-2-benzo[b][1,4]benzodioxepincarboxylic acid 3-Hydroxy-9-methoxy-6-oxo-1,7-dipropylbenzo[b][1,4]benzodioxepine-2-carboxylic acid 3-Hydroxy-9-methoxy-6-oxo-1,7-dipropyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid 9-Methoxy-3-oxidanyl-6-oxidanylidene-1,7-dipropyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid
CAS Registry Number 103538-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-4-6-11-8-12(26-3)9-15-17(11)21(25)28-16-10-14(22)18(20(23)24)13(7-5-2)19(16)27-15/h8-10,22H,4-7H2,1-3H3,(H,23,24)
InChIKey LWVHZHJOXWPWHN-UHFFFAOYSA-N
Molecular Weight 386.400 g/mol
SMILES OC(c1c(cc2c(c1CCC)Oc1c(C(O2)=O)c(cc(c1)OC)CCC)O)=O
SPLASH splash10-000f-0109000000-1b71c2301902f27df45f
Source of Spectrum B-40-1463-24
Wiley ID 1362603