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1-Naphthalenebutanol, 2-(acetyloxy)-.beta.-bromo-1,2,3,4-tetrahydro-7-methoxy-.alpha.,1-dimethyl-
SpectraBase Compound ID 7mkOm558qL
InChI InChI=1S/C19H27BrO4/c1-12(21)17(20)9-10-19(3)16-11-15(23-4)7-5-14(16)6-8-18(19)24-13(2)22/h5,7,11-12,17-18,21H,6,8-10H2,1-4H3/t12?,17?,18-,19-/m1/s1
InChIKey RLVPEHSVWGFYAC-PWFGFRIZSA-N
Mol Weight 399.33 g/mol
Molecular Formula C19H27BrO4
Exact Mass 398.109272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ha1x35Msoh9
Name 1-Naphthalenebutanol, 2-(acetyloxy)-.beta.-bromo-1,2,3,4-tetrahydro-7-methoxy-.alpha.,1-dimethyl-
CAS Registry Number 112280-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27BrO4
InChI InChI=1S/C19H27BrO4/c1-12(21)17(20)9-10-19(3)16-11-15(23-4)7-5-14(16)6-8-18(19)24-13(2)22/h5,7,11-12,17-18,21H,6,8-10H2,1-4H3/t12?,17?,18-,19-/m1/s1
InChIKey RLVPEHSVWGFYAC-PWFGFRIZSA-N
Molecular Weight 399.325 g/mol
SMILES OC(C(CC[C@@]1(c2c(ccc(c2)OC)CC[C@]1(OC(=O)C)[H])C)Br)C
SPLASH splash10-00di-0900000000-75b083884bfa70aced49
Source of Spectrum I-65-25-14
Synonyms (1R,2R)-1-(3-bromo-4-hydroxypentyl)-7-methoxy-1-methyl-1,2,3,4-tetrahydro-2-naphthalenyl acetate 1-(3'-Bromo-4'-hydroxy-pentyl)-2(R)-acetoxy-7-methoxy-1(R)-methyl-1,2,3,4-tetrahydro-napthalene
Wiley ID 1368280