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2-(2,6-diacetoxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)propyl 4-bromobenzoate
SpectraBase Compound ID 9Tu2CdPx4ji
InChI InChI=1S/C26H33BrO6/c1-15(14-31-25(30)19-6-9-21(27)10-7-19)24-23(33-18(4)29)11-8-20-13-22(32-17(3)28)12-16(2)26(20,24)5/h6-7,9-10,13,15-16,22-24H,8,11-12,14H2,1-5H3
InChIKey VKUMBPQYQNMPFS-UHFFFAOYSA-N
Mol Weight 521.4 g/mol
Molecular Formula C26H33BrO6
Exact Mass 520.146052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uxIwkHW3NP
Name 2-(2,6-diacetoxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)propyl 4-bromobenzoate
CAS Registry Number 77160-95-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33BrO6
InChI InChI=1S/C26H33BrO6/c1-15(14-31-25(30)19-6-9-21(27)10-7-19)24-23(33-18(4)29)11-8-20-13-22(32-17(3)28)12-16(2)26(20,24)5/h6-7,9-10,13,15-16,22-24H,8,11-12,14H2,1-5H3
InChIKey VKUMBPQYQNMPFS-UHFFFAOYSA-N
Molecular Weight 521.448 g/mol
SMILES C12(C(=CC(CC2C)OC(=O)C)CCC(C1C(COC(c1ccc(cc1)Br)=O)C)OC(=O)C)C
SPLASH splash10-0lg0-0970100000-03664ed006609ef80684
Source of Spectrum B-33-2745-0
Synonyms 2-(2,6-diacetyloxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)propyl 4-bromanylbenzoate 2-(2,6-diacetyloxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)propyl 4-bromobenzoate 4-Bromobenzoic acid 2-(2,6-diacetoxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)propyl ester 4-Bromobenzoic acid 2-(2,6-diacetyloxy-8,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-yl)propyl ester
Wiley ID 1401928