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(3R)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one
SpectraBase Compound ID JNBtQdnBDg7
InChI InChI=1S/C10H9NO4/c1-6(11(13)14)9-7-4-2-3-5-8(7)10(12)15-9/h2-6,9H,1H3/t6-,9+/m1/s1
InChIKey FCWYFQGGRBDNRW-MUWHJKNJSA-N
Mol Weight 207.18 g/mol
Molecular Formula C10H9NO4
Exact Mass 207.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 392S5k9T6T9
Name (3R)-3-[(1R)-1-nitroethyl]-3H-2-benzofuran-1-one
Alternate Name(s) (3R)-3-[(1R)-1-nitroethyl]-3H-isobenzofuran-1-one (3R)-3-[(1R)-1-nitroethyl]phthalide
CAS Registry Number 97049-75-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO4
InChI InChI=1S/C10H9NO4/c1-6(11(13)14)9-7-4-2-3-5-8(7)10(12)15-9/h2-6,9H,1H3/t6-,9+/m1/s1
InChIKey FCWYFQGGRBDNRW-MUWHJKNJSA-N
Molecular Weight 207.185 g/mol
SMILES [C@@]1(OC(=O)c2c1cccc2)([C@](N(=O)=O)(C)[H])[H]
SPLASH splash10-01q9-0900000000-f6e9bcd31d7df052ea48
Source of Spectrum J-53-4679-29
Wiley ID 1205600