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 Google Search
Mol Weight	314.47 g/mol
Molecular Formula	C21H30O2
Exact Mass	314.22458 g/mol

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SpectraBase Spectrum ID	4z8nK46mdiq
Name	1-Oxaspiro[4.5]decan-2-one, 8-pentyl-4-(phenylmethyl)-, trans-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	314.224580204 u
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(CC=2C=CC=CC2)[H])CCC(CC1)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR)	0.871792