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1,4-Butanediol, 2-[1-[(3,4-dimethoxyphenyl)methoxy]propyl]-, [R-(R*,S*)]-
SpectraBase Compound ID EIKWjN4a7rg
InChI InChI=1S/C16H26O5/c1-4-14(13(10-18)7-8-17)21-11-12-5-6-15(19-2)16(9-12)20-3/h5-6,9,13-14,17-18H,4,7-8,10-11H2,1-3H3/t13-,14+/m0/s1
InChIKey RNDZTRLBQFQPKX-UONOGXRCSA-N
Mol Weight 298.38 g/mol
Molecular Formula C16H26O5
Exact Mass 298.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9h2CgRKKuJV
Name 1,4-Butanediol, 2-[1-[(3,4-dimethoxyphenyl)methoxy]propyl]-, [R-(R*,S*)]-
Alternate Name(s) (2S)-2-{(1R)-1-[(3,4-dimethoxybenzyl)oxy]propyl}-1,4-butanediol (3S,4R)-4-(3,4-dimethoxybenzyloxy)-3-hydroxy-methylhexan-1-ol
CAS Registry Number 96182-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O5
InChI InChI=1S/C16H26O5/c1-4-14(13(10-18)7-8-17)21-11-12-5-6-15(19-2)16(9-12)20-3/h5-6,9,13-14,17-18H,4,7-8,10-11H2,1-3H3/t13-,14+/m0/s1
InChIKey RNDZTRLBQFQPKX-UONOGXRCSA-N
Molecular Weight 298.379 g/mol
SMILES OC[C@](CCO)([C@](OCc1cc(c(cc1)OC)OC)(CC)[H])[H]
SPLASH splash10-0uxr-0900000000-f0f79c5f5742010e842a
Source of Spectrum F-42-3028-55
Wiley ID 1300885