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1,4-Pentanediol, 1-phenyl-

View entire compound with spectra: 6 MS (GC)

1,4-Pentanediol, 1-phenyl-
SpectraBase Compound ID 1uFzBJvIaaL
InChI InChI=1S/C11H16O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKey CLCWBIKVZDPOPD-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60xq560XKDX
Name 1,4-Pentanediol, 1-phenyl-
Alternate Name(s) 1-Phenylpentane-1,4-diol 1-Phenyl-1,4-pentanediol
CAS Registry Number 38299-94-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKey CLCWBIKVZDPOPD-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES OC(CCC(C)O)c1ccccc1
SPLASH splash10-0a6r-6900000000-6d97417f39cee54e8c11
Wiley ID 1490079