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2-Pentanone, 5-[2-(acetyloxy)-1,2,3,4-tetrahydro-7-methoxy-1-methyl-1-naphthalenyl]-, (1R-trans)-
SpectraBase Compound ID 9Jspb7gKtBH
InChI InChI=1S/C19H26O4/c1-13(20)6-5-11-19(3)17-12-16(22-4)9-7-15(17)8-10-18(19)23-14(2)21/h7,9,12,18H,5-6,8,10-11H2,1-4H3/t18-,19-/m1/s1
InChIKey BLMXBDKCXFHMNU-RTBURBONSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jKJ0ODaBXL
Name 2-Pentanone, 5-[2-(acetyloxy)-1,2,3,4-tetrahydro-7-methoxy-1-methyl-1-naphthalenyl]-, (1R-trans)-
CAS Registry Number 112280-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-13(20)6-5-11-19(3)17-12-16(22-4)9-7-15(17)8-10-18(19)23-14(2)21/h7,9,12,18H,5-6,8,10-11H2,1-4H3/t18-,19-/m1/s1
InChIKey BLMXBDKCXFHMNU-RTBURBONSA-N
Molecular Weight 318.413 g/mol
SMILES [C@@]1(c2c(ccc(c2)OC)CC[C@]1(OC(=O)C)[H])(CCCC(=O)C)C
SPLASH splash10-00di-0900000000-2fd5542826f87886e4e6
Source of Spectrum I-65-23-13
Synonyms (1R,2R)-7-methoxy-1-methyl-1-(4-oxopentyl)-1,2,3,4-tetrahydro-2-naphthalenyl acetate 1-(4'-Oxopentyl)-2(R)-acetoxy-7-methoxy-1(R)-methyl-1,2,3,4-tetrahydronaphthalene)
Wiley ID 1318633