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1-Oxaspiro[4.5]decan-2-one, 8-pentyl-4-(phenylmethyl)-, trans-
SpectraBase Compound ID IozujSBc6Sl
InChI InChI=1S/C21H30O2/c1-2-3-5-8-17-11-13-21(14-12-17)19(16-20(22)23-21)15-18-9-6-4-7-10-18/h4,6-7,9-10,17,19H,2-3,5,8,11-16H2,1H3/t17?,19-,21?/m0/s1
InChIKey PMUVMJOKLVDBPH-BIXGBWIQSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33QpyVkKAfe
Name 1-Oxaspiro[4.5]decan-2-one, 8-pentyl-4-(phenylmethyl)-, trans-
CAS Registry Number 83787-95-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-2-3-5-8-17-11-13-21(14-12-17)19(16-20(22)23-21)15-18-9-6-4-7-10-18/h4,6-7,9-10,17,19H,2-3,5,8,11-16H2,1H3/t17?,19-,21?/m0/s1
InChIKey PMUVMJOKLVDBPH-BIXGBWIQSA-N
Molecular Weight 314.469 g/mol
SMILES C12(OC(=O)C[C@@]2(Cc2ccccc2)[H])CCC(CC1)CCCCC
SPLASH splash10-0fr5-4941000000-f66268c9bd27b25ca07e
Source of Spectrum H-65-1330-0
Synonyms (4S)-4-benzyl-8-pentyl-1-oxaspiro[4.5]decan-2-one trans-4-benzyl-8-pentyl-1-oxaspiro[4,5]decan-2-one
Wiley ID 1315577