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2-Pentanone, 5-[2-(acetyloxy)-1,2,3,4-tetrahydro-7-methoxy-1-methyl-1-naphthalenyl]-3-bromo-, [1R-(1.alpha.,2.beta.)]-
SpectraBase Compound ID Jm8qfo0RS4R
InChI InChI=1S/C19H25BrO4/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/h5,7,11,17-18H,6,8-10H2,1-4H3/t17?,18-,19?/m1/s1
InChIKey DEDDSOKXHMNTJG-JLAWEPINSA-N
Mol Weight 397.31 g/mol
Molecular Formula C19H25BrO4
Exact Mass 396.093622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATEaHeltPzH
Name 2-Pentanone, 5-[2-(acetyloxy)-1,2,3,4-tetrahydro-7-methoxy-1-methyl-1-naphthalenyl]-3-bromo-, [1R-(1.alpha.,2.beta.)]-
CAS Registry Number 112280-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25BrO4
InChI InChI=1S/C19H25BrO4/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/h5,7,11,17-18H,6,8-10H2,1-4H3/t17?,18-,19?/m1/s1
InChIKey DEDDSOKXHMNTJG-JLAWEPINSA-N
Molecular Weight 397.309 g/mol
SMILES C1(c2c(ccc(c2)OC)CC[C@]1(OC(=O)C)[H])(CCC(C(=O)C)Br)C
SPLASH splash10-00di-0900000000-315a7bf6b3c3dc3fca25
Source of Spectrum I-65-25-13
Synonyms (2R)-1-(3-bromo-4-oxopentyl)-7-methoxy-1-methyl-1,2,3,4-tetrahydro-2-naphthalenyl acetate 1-(3'-Bromo-3'acetyl-propyl)-1-methyl-2(R)-acetoxy-7-methoxy-2,3,4-trihydro-napthalene
Wiley ID 1367340