Ante - iso - pentadecanoic acid, eicosyl ester - Optional[Vapor Phase IR] - Spectrum

SpectraBase Compound ID	KkjI9t3UO3N
InChI	InChI=1S/C35H70O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-37-35(36)32-29-26-23-20-18-19-22-25-28-31-34(2)3/h34H,4-33H2,1-3H3
InChIKey	HFZZLUVFEPHQCO-UHFFFAOYSA-N Google Search
Mol Weight	522.9 g/mol
Molecular Formula	C35H70O2
Exact Mass	522.537581 g/mol

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SpectraBase Spectrum ID	Ifn8jyakGAO
Name	Ante - iso - pentadecanoic acid, eicosyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	522.537581492 u
Formula	C35H70O2
InChI	InChI=1S/C35H70O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-37-35(36)32-29-26-23-20-18-19-22-25-28-31-34(2)3/h34H,4-33H2,1-3H3
InChIKey	HFZZLUVFEPHQCO-UHFFFAOYSA-N
Molecular Weight	522.943 g/mol
SMILES	C(=O)(OCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.821816