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(3S,4R)-3-Benzyl-4-(nitromethyl)chroman-2-ol
SpectraBase Compound ID 3h05Onubf00
InChI InChI=1S/C17H17NO4/c19-17-14(10-12-6-2-1-3-7-12)15(11-18(20)21)13-8-4-5-9-16(13)22-17/h1-9,14-15,17,19H,10-11H2/t14-,15-,17?/m0/s1
InChIKey QECPKEHERPMGSK-GIIGEWEBSA-N
Mol Weight 299.33 g/mol
Molecular Formula C17H17NO4
Exact Mass 299.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9nWeleFceE
Name (3S,4R)-3-Benzyl-4-(nitromethyl)chroman-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO4
InChI InChI=1S/C17H17NO4/c19-17-14(10-12-6-2-1-3-7-12)15(11-18(20)21)13-8-4-5-9-16(13)22-17/h1-9,14-15,17,19H,10-11H2/t14-,15-,17?/m0/s1
InChIKey QECPKEHERPMGSK-GIIGEWEBSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 299.326 g/mol
SMILES OC1Oc2ccccc2[C@](C[N+](=O)[O-])([C@@]1(Cc1ccccc1)[H])[H]
SPLASH splash10-01ox-9720000000-6be5e948b412e7fa508c
Source of Spectrum ASC-352-2869/SM4-3e
Wiley ID 1764135