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2,2,5,5-Tetrakis(hydroxymethyl)cyclopentano[f]indan

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2,2,5,5-Tetrakis(hydroxymethyl)cyclopentano[f]indan
SpectraBase Compound ID AnCHB9VPvVF
InChI InChI=1S/C16H22O4/c17-7-15(8-18)3-11-1-2-12-4-16(9-19,10-20)6-14(12)13(11)5-15/h1-2,17-20H,3-10H2
InChIKey WRXBEBMPZSOXGH-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K9CVaD8oL5B
Name 2,2,5,5-Tetrakis(hydroxymethyl)cyclopentano[F]indan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c17-7-15(8-18)3-11-1-2-12-4-16(9-19,10-20)6-14(12)13(11)5-15/h1-2,17-20H,3-10H2
InChIKey WRXBEBMPZSOXGH-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES C12=C3C(CC(C3)(CO)CO)=CC=C1CC(C2)(CO)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.907436