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4-(5-Pentyl-3A,4,7,7A-tetrahydro-4-indanyl)butanoic acid, methyl ester
SpectraBase Compound ID 3YjcXEkUqvm
InChI InChI=1S/C19H32O2/c1-3-4-5-8-15-13-14-16-9-6-10-17(16)18(15)11-7-12-19(20)21-2/h13,16-18H,3-12,14H2,1-2H3
InChIKey QICYXSKJIVJXOJ-UHFFFAOYSA-N
Mol Weight 292.5 g/mol
Molecular Formula C19H32O2
Exact Mass 292.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HOxfxJywLOp
Name 4-(5-Pentyl-3A,4,7,7A-tetrahydro-4-indanyl)butanoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.240230268 u
Formula C19H32O2
InChI InChI=1S/C19H32O2/c1-3-4-5-8-15-13-14-16-9-6-10-17(16)18(15)11-7-12-19(20)21-2/h13,16-18H,3-12,14H2,1-2H3
InChIKey QICYXSKJIVJXOJ-UHFFFAOYSA-N
SMILES C1=C(C(CCCC(OC)=O)C2C(C1)CCC2)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925827