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2-(hydroxymethyl)-3-phenyl-2,3-dihydro-1,4-benzodioxin-6-carbonitrile
SpectraBase Compound ID FXynXruVSe2
InChI InChI=1S/C16H13NO3/c17-9-11-6-7-13-14(8-11)20-16(15(10-18)19-13)12-4-2-1-3-5-12/h1-8,15-16,18H,10H2
InChIKey MZMFSRQRPQSQRG-UHFFFAOYSA-N
Mol Weight 267.28 g/mol
Molecular Formula C16H13NO3
Exact Mass 267.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2q2gtozCA0e
Name 2-(hydroxymethyl)-3-phenyl-2,3-dihydro-1,4-benzodioxin-6-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO3
InChI InChI=1S/C16H13NO3/c17-9-11-6-7-13-14(8-11)20-16(15(10-18)19-13)12-4-2-1-3-5-12/h1-8,15-16,18H,10H2
InChIKey MZMFSRQRPQSQRG-UHFFFAOYSA-N
Molecular Weight 267.284 g/mol
SMILES OCC1C(Oc2c(O1)ccc(C#N)c2)c1ccccc1
SPLASH splash10-016v-6940000000-092c7e2b27a4949290c8
Source of Spectrum SK-28-3129-5
Synonyms 2-(hydroxymethyl)-3-phenyl-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
Wiley ID 868631