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[3a(R)]-3-[1-(3-Aminophenyl)propyl]-5,6-dihydro-6,6-dipropyl-4-hydroxy-2H-pyran-2-one
SpectraBase Compound ID 8wGimLa0P8R
InChI InChI=1S/C20H29NO3/c1-4-10-20(11-5-2)13-17(22)18(19(23)24-20)16(6-3)14-8-7-9-15(21)12-14/h7-9,12,16,22H,4-6,10-11,13,21H2,1-3H3/t16-/m1/s1
InChIKey VYVSYVZARGVBAF-MRXNPFEDSA-N
Mol Weight 331.46 g/mol
Molecular Formula C20H29NO3
Exact Mass 331.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YD0vDp4EkN
Name [3a(R)]-3-[1-(3-Aminophenyl)propyl]-5,6-dihydro-6,6-dipropyl-4-hydroxy-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29NO3
InChI InChI=1S/C20H29NO3/c1-4-10-20(11-5-2)13-17(22)18(19(23)24-20)16(6-3)14-8-7-9-15(21)12-14/h7-9,12,16,22H,4-6,10-11,13,21H2,1-3H3/t16-/m1/s1
InChIKey VYVSYVZARGVBAF-MRXNPFEDSA-N
Molecular Weight 331.456 g/mol
SMILES OC=1CC(OC(C1[C@@](c1cc(ccc1)N)(CC)[H])=O)(CCC)CCC
SPLASH splash10-001l-0917000000-e9b20773a0c8da53c564
Source of Spectrum J-64-4984-22
Synonyms 3-[(1R)-1-(3-aminophenyl)propyl]-4-hydroxy-6,6-dipropyl-5,6-dihydro-2H-pyran-2-one
Wiley ID 1530552